A0A3Q0KPD3_SCHMA Loading...

Reticulocalbin-3

Probable molecular chaperone assisting protein biosynthesis and transport in the endoplasmic reticulum. Required for the proper biosynthesis and transport of pulmonary surfactant-associated protein A/SP-A, pulmonary surfactant-associated protein D/SP-D and the lipid transporter ABCA3. By regulating both the proper expression and the degradation through the endoplasmic reticulum-associated protein degradation pathway of these proteins plays a crucial role in pulmonary surfactant homeostasis. Has an anti-fibrotic activity by negatively regulating the secretion of type I and type III collagens. This calcium-binding protein also transiently associates with immature PCSK6 and regulates its secretion.

AlphaFold DB , UniProt , Accession A0A3Q0KPD3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	32	Very low	237 Å²	237	163.4 Å²	163.4	100%	1.167	80%	0.803	S	S	*	*				0	101.5	0	-109.9	170.6	169.3	0	0	106.9	T3	M1-T3 PolarHBondContact O-N 3.33Å
2	I	34.2	Very low	31.4	Very low	164 Å²	164	160.3 Å²	160.3	84%	0.841	79%	0.792	S	S	*	*			trans	-85.5	98.2	-176.4	-65.2	164.6	0	0	0	106.3	I4	I2-I4 HydrophobicContact CG2-CG1 4.29Å; I2-I4 PolarHBondContact O-N 2.8Å
3	T	32.4	Very low	31	Very low	130 Å²	130	158.7 Å²	158.7	80%	0.798	79%	0.787	S	S	*	*			trans	-82.3	101.5	172.5	42.6	0	0	0	0	108.2	M1 S5	M1-T3 PolarHBondContact O-N 3.33Å; T3-S5 PolarHBondContact O-N 3.16Å; T3-S5 VanDerWaalsContact O-N 3.16Å
4	I	36	Very low	30.5	Very low	140 Å²	140	155.4 Å²	155.4	72%	0.718	77%	0.772	S	S	*	*			trans	-63.8	108.4	177.3	-63	170.4	0	0	0	107.8	I2 F6	I2-I4 HydrophobicContact CG2-CG1 4.29Å; I2-I4 PolarHBondContact O-N 2.8Å; I4-F6 PolarHBondContact O-N 2.74Å; I4-F6 VanDerWaalsContact O-N 3.17Å
5	S	33.2	Very low	30.2	Very low	95 Å²	95	153.5 Å²	153.5	66%	0.664	77%	0.765	S	S	*	*			trans	-63.6	109.2	172.1	178.9	0	0	0	0	109.1	T3 N7	T3-S5 PolarHBondContact O-N 3.16Å; T3-S5 VanDerWaalsContact O-N 3.16Å; S5-N7 PolarHBondContact O-N 3.17Å
6	F	33.5	Very low	30	Very low	203 Å²	203	150.2 Å²	150.2	89%	0.89	75%	0.749	S	S	*	*			trans	-76.3	66.1	176.8	-130.4	-90.8	0	0	0	109	I4	I4-F6 PolarHBondContact O-N 2.74Å; I4-F6 VanDerWaalsContact O-N 3.17Å
7	N	29	Very low	29.7	Very low	144 Å²	144	150.1 Å²	150.1	77%	0.77	75%	0.746	S	S	*	*			trans	-110.4	75.6	179	-129.2	9.8	0	0	0	108.6	S5	S5-N7 PolarHBondContact O-N 3.17Å
8	R	29.9	Very low	29.6	Very low	217 Å²	217	151.8 Å²	151.8	82%	0.819	74%	0.744	S	S	*	*			trans	-140.8	101.7	171.4	-83.7	-164.2	163.7	-173.3	-6.1	110.9
9	Y	31.6	Very low	29.5	Very low	187 Å²	187	148.2 Å²	148.2	73%	0.733	73%	0.731	S	S	*	*			trans	61.7	68.7	141.7	-63.6	-86.9	0	0	0	117	I11	Y9-I11 VanDerWaalsContact C-N 3.3Å; Y9-I11 HydrophobicContact CD1-CD1 3.64Å; Y9-I11 HydrophobicContact CD1-CG1 3.95Å; Y9-I11 HydrophobicContact CE1-CD1 3.98Å
10	I	27	Very low	29.5	Very low	157 Å²	157	144.8 Å²	144.8	81%	0.805	72%	0.722	S	S	*	*			trans	-94.5	76.8	141.1	-59	177.2	0	0	0	105.4	L12	I10-L12 HydrophobicContact CG2-CB 4.2Å; I10-L12 PolarHBondContact O-N 3.33Å
11	I	29	Very low	29.6	Very low	123 Å²	123	142.6 Å²	142.6	63%	0.631	72%	0.716	S	S	*	*			trans	-72.1	87	156.8	-66.2	175.6	0	0	0	103.6	Y9 L13	Y9-I11 VanDerWaalsContact C-N 3.3Å; Y9-I11 HydrophobicContact CD1-CD1 3.64Å; Y9-I11 HydrophobicContact CD1-CG1 3.95Å; Y9-I11 HydrophobicContact CE1-CD1 3.98Å; I11-L13 HydrophobicContact CG2-CG 4.36Å; I11-L13 PolarHBondContact O-N 3.33Å
12	L	25.2	Very low	29.5	Very low	127 Å²	127	137.3 Å²	137.3	67%	0.665	69%	0.687	S	S	*	*			trans	-63.2	90.2	164.1	-165.6	75.5	0	0	0	104.6	I10 I14	I10-L12 HydrophobicContact CG2-CB 4.2Å; I10-L12 PolarHBondContact O-N 3.33Å; L12-I14 HydrophobicContact CB-CG1 4.41Å; L12-I14 HydrophobicContact CD2-CD1 3.84Å; L12-I14 HydrophobicContact CD2-CG1 3.63Å; L12-I14 HydrophobicContact CG-CG1 3.76Å; L12-I14 PolarHBondContact O-N 3.23Å
13	L	25.8	Very low	29.4	Very low	139 Å²	139	133.8 Å²	133.8	73%	0.728	67%	0.674	S	S	*	*			trans	-59.8	76.2	159.8	-93.9	154.2	0	0	0	105.9	I11 L15	I11-L13 HydrophobicContact CG2-CG 4.36Å; I11-L13 PolarHBondContact O-N 3.33Å; L13-L15 PolarHBondContact O-N 3.18Å
14	I	24.6	Very low	29.7	Very low	113 Å²	113	130.5 Å²	130.5	58%	0.579	65%	0.65	S	S	*	*			trans	-65.2	88.4	155.1	-50.7	179.5	0	0	0	102.6	L12 I16	L12-I14 HydrophobicContact CB-CG1 4.41Å; L12-I14 HydrophobicContact CD2-CD1 3.84Å; L12-I14 HydrophobicContact CD2-CG1 3.63Å; L12-I14 HydrophobicContact CG-CG1 3.76Å; L12-I14 PolarHBondContact O-N 3.23Å; I14-I16 HydrophobicContact CG2-CD1 4.09Å; I14-I16 HydrophobicContact CG2-CG1 3.64Å; I14-I16 PolarHBondContact O-N 3.47Å
15	L	25.1	Very low	30	Very low	126 Å²	126	125.1 Å²	125.1	66%	0.66	62%	0.623	S	S	*	*			trans	-57.6	73.6	149.2	-72.3	158.9	0	0	0	104.7	L13 H17	L13-L15 PolarHBondContact O-N 3.18Å; L15-H17 PolarHBondContact O-N 3.5Å; L15-H17 PolarHBondContact O-ND1 3.43Å
16	I	27.6	Very low	30.6	Very low	101 Å²	101	121.4 Å²	121.4	52%	0.518	60%	0.595	S	S	.	*			trans	-53.9	102.9	146.8	-71.7	142.1	0	0	0	99.4	I14 Y18	I14-I16 HydrophobicContact CG2-CD1 4.09Å; I14-I16 HydrophobicContact CG2-CG1 3.64Å; I14-I16 PolarHBondContact O-N 3.47Å; I16-Y18 HydrophobicContact CB-CD2 3.95Å; I16-Y18 HydrophobicContact CB-CE2 4Å; I16-Y18 HydrophobicContact CG2-CD2 3.47Å; I16-Y18 VanDerWaalsContact CG2-CD2 3.47Å; I16-Y18 HydrophobicContact CG2-CE2 3.55Å; I16-Y18 HydrophobicContact CG2-CG 4.01Å; I16-Y18 PolarHBondContact O-N 3.39Å
17	H	25.8	Very low	31.1	Very low	149 Å²	149	114.7 Å²	114.7	69%	0.69	57%	0.57	S	S	*	*			trans	-61	81.7	161.9	-68	59.4	0	0	0	102.2	L15 T19	L15-H17 PolarHBondContact O-N 3.5Å; L15-H17 PolarHBondContact O-ND1 3.43Å; H17-T19 HydrophobicContact CB-CG2 4.46Å; H17-T19 PolarHBondContact O-N 2.91Å
18	Y	27.2	Very low	31.7	Very low	181 Å²	181	110.6 Å²	110.6	71%	0.71	55%	0.551	S	S	*	*			trans	-59.1	77.7	140.1	-72.4	-84.6	0	0	0	102.4	I16 C20	I16-Y18 HydrophobicContact CB-CD2 3.95Å; I16-Y18 HydrophobicContact CB-CE2 4Å; I16-Y18 HydrophobicContact CG2-CD2 3.47Å; I16-Y18 VanDerWaalsContact CG2-CD2 3.47Å; I16-Y18 HydrophobicContact CG2-CE2 3.55Å; I16-Y18 HydrophobicContact CG2-CG 4.01Å; I16-Y18 PolarHBondContact O-N 3.39Å; Y18-C20 VanDerWaalsContact CA-N 3.3Å; Y18-C20 PolarHBondContact O-N 3.05Å
19	T	28.2	Very low	32.5	Very low	82 Å²	82	101.4 Å²	101.4	50%	0.503	52%	0.519	S	S	.	.				-58.3	66.2	125.9	57.6	0	0	0	0	104.4	H17 T21	H17-T19 HydrophobicContact CB-CG2 4.46Å; H17-T19 PolarHBondContact O-N 2.91Å; T19-T21 VanDerWaalsContact C-N 3.28Å; T19-T21 PolarHBondContact O-N 2.92Å
20	C	28.8	Very low	33.5	Very low	81 Å²	81	93.1 Å²	93.1	55%	0.547	49%	0.487	S	S	.	.			trans	-48	111.7	159.6	-158.5	0	0	0	0	99.7	Y18 K22	Y18-C20 VanDerWaalsContact CA-N 3.3Å; Y18-C20 PolarHBondContact O-N 3.05Å; C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 WeakPolarHBondContact O-CA 3.43Å; C20-K22 PolarHBondContact O-N 3.36Å
21	T	31.7	Very low	34.6	Very low	98 Å²	98	91.2 Å²	91.2	60%	0.601	47%	0.469	S	S	*	.			trans	-23.4	102.7	163.4	35.3	0	0	0	0	106	T19	T19-T21 VanDerWaalsContact C-N 3.28Å; T19-T21 PolarHBondContact O-N 2.92Å
22	K	33.5	Very low	35.5	Very low	126 Å²	126	87.6 Å²	87.6	55%	0.548	45%	0.452	S	S	.	.			trans	-46.7	127.9	-170.9	-74.4	175.7	-176.4	162.9	0	104.6	C20 H24	C20-K22 VanDerWaalsContact C-N 3.29Å; C20-K22 WeakPolarHBondContact O-CA 3.43Å; C20-K22 PolarHBondContact O-N 3.36Å; K22-H24 PolarHBondContact O-N 3.22Å
23	P	32	Very low	36.6	Very low	90 Å²	90	82.8 Å²	82.8	58%	0.584	43%	0.427	S	S	*	.			trans	-45.1	120.9	-176.4	16.7	-29.6	0	0	0	107.1	L25	P23-L25 PolarHBondContact O-N 2.69Å
24	H	38.8	Very low	37.9	Very low	61 Å²	61	77.6 Å²	77.6	28%	0.282	40%	0.399	S	S	.	.			trans	-47.5	133.4	-168.4	-148.2	-115.9	0	0	0	107.9	K22 E26 T27 H156 E196	K22-H24 PolarHBondContact O-N 3.22Å; H24-E26 IonicContact CE1-OE1 2.68Å; H24-E26 PolarHBondContact CE1-OE1 2.98Å; H24-E26 WeakPolarHBondContact ND1-CG 3.37Å; H24-E26 IonicContact ND1-OE1 2.81Å; H24-E26 PolarHBondContact ND1-OE1 3.38Å; H24-E26 IonicContact ND1-OE2 2.77Å; H24-E26 PolarHBondContact O-N 2.85Å; H24-T27 PolarHBondContact O-N 2.95Å; H24-T27 PolarHBondContact O-OG1 2.82Å; H24-H156 AromaticContact NE2-CE1 3.93Å; H24-H156 AromaticContact NE2-NE2 3.92Å; H24-E196 IonicContact CD2-OE1 3.62Å; H24-E196 PolarHBondContact CD2-OE1 2.88Å; H24-E196 VanDerWaalsContact CE1-CD 3.43Å; H24-E196 WeakPolarHBondContact CE1-CG 3.26Å; H24-E196 IonicContact CE1-OE1 3.81Å; H24-E196 PolarHBondContact CE1-OE1 3.43Å; H24-E196 IonicContact CG-OE1 3.16Å; H24-E196 IonicContact ND1-OE1 3.88Å; H24-E196 PolarHBondContact ND1-OE1 3.39Å; H24-E196 IonicContact NE2-OE1 2.72Å; H24-E196 PolarHBondContact NE2-OE1 2.79Å; H24-E196 VanDerWaalsContact NE2-OE1 3.12Å
25	L	42.3	Very low	39.1	Very low	28 Å²	28	73.1 Å²	73.1	15%	0.147	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-23.3	-166.5	-159.9	108.2	0	0	0	112.8	P23 T27 V28 S29 P183	P23-L25 PolarHBondContact O-N 2.69Å; L25-T27 PolarHBondContact O-N 3.48Å; L25-T27 VanDerWaalsContact O-N 3.16Å; L25-V28 PolarHBondContact O-N 3.12Å; L25-S29 PolarHBondContact O-N 3.42Å; L25-P183 HydrophobicContact CD1-CG 4.18Å; L25-P183 HydrophobicContact CD2-CG 3.25Å; L25-P183 HydrophobicContact CG-CG 4.33Å
26	E	45.9	Very low	40.1	Very low	17 Å²	17	69.2 Å²	69.2	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-40.1	-46.1	165.6	-66.4	171.5	-168	0	0	113.2	H24 V28 R30 L197 Y200	H24-E26 IonicContact CE1-OE1 2.68Å; H24-E26 PolarHBondContact CE1-OE1 2.98Å; H24-E26 WeakPolarHBondContact ND1-CG 3.37Å; H24-E26 IonicContact ND1-OE1 2.81Å; H24-E26 PolarHBondContact ND1-OE1 3.38Å; H24-E26 IonicContact ND1-OE2 2.77Å; H24-E26 PolarHBondContact O-N 2.85Å; E26-V28 VanDerWaalsContact C-N 3.3Å; E26-V28 PolarHBondContact O-N 3.47Å; E26-R30 VanDerWaalsContact O-CB 3.25Å; E26-R30 WeakPolarHBondContact O-CB 3.37Å; E26-R30 WeakPolarHBondContact O-CD 3.47Å; E26-R30 VanDerWaalsContact O-CG 3.29Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.95Å; E26-L197 HydrophobicContact CG-CD1 3.95Å; E26-Y200 WeakPolarHBondContact OE1-CB 3.47Å; E26-Y200 WeakPolarHBondContact OE2-CD1 3.48Å; E26-Y200 WeakPolarHBondContact OE2-CE1 3.39Å
27	T	42.9	Very low	40.9	Very low	62 Å²	62	66.4 Å²	66.4	38%	0.38	35%	0.346	S	S	.	.	H	α-helix	trans	-71.2	-23.7	-175.1	56.8	0	0	0	0	113	H24 L25 R31	H24-T27 PolarHBondContact O-N 2.95Å; H24-T27 PolarHBondContact O-OG1 2.82Å; L25-T27 PolarHBondContact O-N 3.48Å; L25-T27 VanDerWaalsContact O-N 3.16Å; T27-R31 VanDerWaalsContact O-CB 3.32Å; T27-R31 WeakPolarHBondContact O-CB 3.3Å; T27-R31 WeakPolarHBondContact O-CG 3.32Å; T27-R31 PolarHBondContact O-N 3.2Å; T27-R31 PolarHBondContact O-NE 3.16Å
28	V	43.3	Very low	42	Very low	58 Å²	58	61.3 Å²	61.3	35%	0.352	32%	0.323	S	S	.	.	H	α-helix	trans	-84.2	-62.5	-177.8	-178.2	0	0	0	0	109.7	L25 E26 R30 R31 D32	L25-V28 PolarHBondContact O-N 3.12Å; E26-V28 VanDerWaalsContact C-N 3.3Å; E26-V28 PolarHBondContact O-N 3.47Å; V28-R30 PolarHBondContact O-N 3.32Å; V28-R31 WeakPolarHBondContact O-CB 3.49Å; V28-R31 PolarHBondContact O-N 2.92Å; V28-D32 PolarHBondContact O-N 3.44Å
29	S	45.8	Very low	43	Very low	23 Å²	23	55.4 Å²	55.4	16%	0.161	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-31.5	-177.5	-166.4	0	0	0	0	113.4	L25 T33 I265	L25-S29 PolarHBondContact O-N 3.42Å; S29-T33 PolarHBondContact O-N 2.91Å; S29-T33 PolarHBondContact O-OG1 3.26Å; S29-I265 PolarHBondContact OG-O 2.68Å; S29-I265 VanDerWaalsContact OG-O 3.05Å
30	R	52.3	Low	44	Very low	14 Å²	14	54.9 Å²	54.9	5%	0.053	30%	0.302	C	S	.	.	H	α-helix	trans	-81.6	-32.8	177.6	-69.2	176.1	56	-170	3.3	113.9	E26 V28 D32 T33 E34 D217	E26-R30 VanDerWaalsContact O-CB 3.25Å; E26-R30 WeakPolarHBondContact O-CB 3.37Å; E26-R30 WeakPolarHBondContact O-CD 3.47Å; E26-R30 VanDerWaalsContact O-CG 3.29Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.95Å; V28-R30 PolarHBondContact O-N 3.32Å; R30-D32 PolarHBondContact O-N 2.87Å; R30-T33 PolarHBondContact O-N 3.32Å; R30-E34 IonicContact CZ-OE1 3.95Å; R30-E34 IonicContact NE-OE1 3.33Å; R30-E34 PolarHBondContact NE-OE1 3.36Å; R30-E34 IonicContact NH2-OE1 2.94Å; R30-E34 PolarHBondContact NH2-OE1 3.21Å; R30-E34 WeakPolarHBondContact O-CB 3.29Å; R30-E34 VanDerWaalsContact O-CG 3.32Å; R30-E34 WeakPolarHBondContact O-CG 3.48Å; R30-E34 PolarHBondContact O-N 2.81Å; R30-D217 IonicContact CZ-OD2 3.88Å; R30-D217 IonicContact NH1-OD1 3.97Å; R30-D217 IonicContact NH1-OD2 2.99Å; R30-D217 PolarHBondContact NH1-OD2 3.38Å; R30-D217 IonicContact NH2-OD2 2.69Å; R30-D217 PolarHBondContact NH2-OD2 2.74Å
31	R	50.3	Low	45.1	Very low	116 Å²	116	56.3 Å²	56.3	44%	0.438	30%	0.304	S	S	.	.	H	α-helix	trans	-55.3	-45	172	-93.4	-177	-74.4	170.7	-3	109.4	T27 V28 T33 H35	T27-R31 VanDerWaalsContact O-CB 3.32Å; T27-R31 WeakPolarHBondContact O-CB 3.3Å; T27-R31 WeakPolarHBondContact O-CG 3.32Å; T27-R31 PolarHBondContact O-N 3.2Å; T27-R31 PolarHBondContact O-NE 3.16Å; V28-R31 WeakPolarHBondContact O-CB 3.49Å; V28-R31 PolarHBondContact O-N 2.92Å; R31-T33 PolarHBondContact O-N 2.89Å; R31-H35 WeakPolarHBondContact O-CB 3.34Å; R31-H35 PolarHBondContact O-N 3.4Å
32	D	49.1	Very low	46.1	Very low	48 Å²	48	56.9 Å²	56.9	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-46.4	178.4	-57.4	21.6	0	0	0	112	V28 R30 F36 F47	V28-D32 PolarHBondContact O-N 3.44Å; R30-D32 PolarHBondContact O-N 2.87Å; D32-F36 WeakPolarHBondContact O-CD2 3.44Å; D32-F36 WeakPolarHBondContact O-CE2 3.37Å; D32-F47 HydrophobicContact CB-CE2 4.15Å; D32-F47 HydrophobicContact CB-CZ 3.94Å; D32-F47 WeakPolarHBondContact OD1-CE2 3.47Å
33	T	48.1	Very low	47.3	Very low	25 Å²	25	53.2 Å²	53.2	15%	0.153	28%	0.28	C	S	.	.	H	α-helix	trans	-77.4	-37.6	-175.8	-50.2	0	0	0	0	112.4	S29 R30 R31	S29-T33 PolarHBondContact O-N 2.91Å; S29-T33 PolarHBondContact O-OG1 3.26Å; R30-T33 PolarHBondContact O-N 3.32Å; R31-T33 PolarHBondContact O-N 2.89Å
34	E	52.8	Low	48.9	Very low	31 Å²	31	52.3 Å²	52.3	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-77.4	-24.7	-179.4	-67.2	174.7	-166.1	0	0	112.2	R30 F36 A37 L218	R30-E34 IonicContact CZ-OE1 3.95Å; R30-E34 IonicContact NE-OE1 3.33Å; R30-E34 PolarHBondContact NE-OE1 3.36Å; R30-E34 IonicContact NH2-OE1 2.94Å; R30-E34 PolarHBondContact NH2-OE1 3.21Å; R30-E34 WeakPolarHBondContact O-CB 3.29Å; R30-E34 VanDerWaalsContact O-CG 3.32Å; R30-E34 WeakPolarHBondContact O-CG 3.48Å; R30-E34 PolarHBondContact O-N 2.81Å; E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.06Å; E34-A37 PolarHBondContact O-N 2.93Å; E34-L218 VanDerWaalsContact CD-CD2 3.42Å; E34-L218 HydrophobicContact CG-CD2 4.44Å; E34-L218 WeakPolarHBondContact OE1-CD2 3.18Å
35	H	48.6	Very low	50.5	Low	19 Å²	19	52.6 Å²	52.6	9%	0.088	27%	0.273	C	S	.	.	H	α-helix	trans	-54.7	-44.9	175.5	-177.2	-81.2	0	0	0	112.1	R31 D44 F47 D48 H279	R31-H35 WeakPolarHBondContact O-CB 3.34Å; R31-H35 PolarHBondContact O-N 3.4Å; H35-D44 PolarHBondContact NE2-N 3.17Å; H35-F47 HydrophobicContact CB-CD1 4.25Å; H35-F47 HydrophobicContact CB-CE1 4.37Å; H35-F47 AromaticContact CD2-CD1 3.29Å; H35-F47 WeakPolarHBondContact CD2-CD1 3.44Å; H35-F47 AromaticContact CD2-CG 3.53Å; H35-F47 AromaticContact CE1-CD1 3.79Å; H35-F47 AromaticContact CG-CD1 3.64Å; H35-F47 AromaticContact ND1-CD1 3.97Å; H35-F47 AromaticContact NE2-CD1 3.42Å; H35-F47 WeakPolarHBondContact NE2-CD1 3.47Å; H35-F47 AromaticContact NE2-CG 3.92Å; H35-D48 IonicContact CD2-OD1 3.56Å; H35-D48 IonicContact CE1-OD1 3.57Å; H35-D48 PolarHBondContact CE1-OD1 3.33Å; H35-D48 IonicContact NE2-OD1 3.22Å; H35-D48 PolarHBondContact NE2-OD1 3.32Å; H35-H279 AromaticContact CE1-CD2 3.7Å; H35-H279 AromaticContact CE1-CE1 3.92Å; H35-H279 AromaticContact CE1-NE2 3.47Å; H35-H279 PolarHBondContact CE1-NE2 3.25Å
36	F	48.2	Very low	51.8	Low	44 Å²	44	57.4 Å²	57.4	19%	0.193	30%	0.295	C	S	.	.	H	α-helix	trans	-92.1	-12.7	-177.5	-51.1	-74.1	0	0	0	114.8	D32 E34 D38 F47 Y270 A275 E276 H279	D32-F36 WeakPolarHBondContact O-CD2 3.44Å; D32-F36 WeakPolarHBondContact O-CE2 3.37Å; E34-F36 VanDerWaalsContact C-N 3.3Å; E34-F36 PolarHBondContact O-N 3.06Å; F36-D38 VanDerWaalsContact C-N 3.3Å; F36-D38 PolarHBondContact O-N 2.97Å; F36-D38 VanDerWaalsContact O-N 3.17Å; F36-F47 HydrophobicContact CE2-CE1 4.13Å; F36-F47 AromaticContact CZ-CE1 3.83Å; F36-F47 HydrophobicContact CZ-CE1 3.83Å; F36-Y270 WeakPolarHBondContact CD2-OH 3.5Å; F36-Y270 WeakPolarHBondContact CE2-OH 3.35Å; F36-A275 HydrophobicContact CB-CB 4.44Å; F36-A275 HydrophobicContact CD1-CB 4.1Å; F36-A275 HydrophobicContact CD2-CB 3.77Å; F36-A275 HydrophobicContact CE1-CB 4.3Å; F36-A275 HydrophobicContact CE2-CB 3.92Å; F36-A275 HydrophobicContact CG-CB 3.81Å; F36-A275 HydrophobicContact CZ-CB 4.18Å; F36-E276 VanDerWaalsContact CE1-CA 3.42Å; F36-E276 HydrophobicContact CE1-CB 4.15Å; F36-E276 WeakPolarHBondContact CE1-OE2 3.49Å; F36-E276 HydrophobicContact CZ-CB 3.65Å; F36-E276 HydrophobicContact CZ-CG 4.44Å; F36-E276 WeakPolarHBondContact CZ-OE2 3.45Å; F36-H279 HydrophobicContact CD1-CB 3.81Å; F36-H279 HydrophobicContact CE1-CB 3.58Å; F36-H279 AromaticContact CE1-CG 3.92Å
37	A	44.2	Very low	53	Low	42 Å²	42	58.1 Å²	58.1	35%	0.347	30%	0.298	S	S	.	.	S	Bend	trans	-63.8	-29.6	-159.6	0	0	0	0	0	114	E34	E34-A37 PolarHBondContact O-N 2.93Å
38	D	48.8	Very low	54.6	Low	42 Å²	42	55.2 Å²	55.2	23%	0.225	28%	0.28	C	S	.	.	S	Bend	trans	-152.2	1.3	-157	-93.5	-25.4	0	0	0	119.2	F36 R239 Q243	F36-D38 VanDerWaalsContact C-N 3.3Å; F36-D38 PolarHBondContact O-N 2.97Å; F36-D38 VanDerWaalsContact O-N 3.17Å; D38-R239 VanDerWaalsContact CB-NE 3.34Å; D38-R239 VanDerWaalsContact CG-CD 3.49Å; D38-R239 VanDerWaalsContact CG-NE 3.27Å; D38-R239 WeakPolarHBondContact OD2-CD 3.32Å; D38-R239 IonicContact OD2-CZ 2.77Å; D38-R239 IonicContact OD2-NE 2.56Å; D38-R239 PolarHBondContact OD2-NE 3.02Å; D38-Q243 PolarHBondContact OD1-NE2 2.86Å
39	D	47.6	Very low	56.5	Low	57 Å²	57	52.8 Å²	52.8	31%	0.305	27%	0.265	S	S	.	.			trans	-159.8	116.2	165.7	-175	-2.5	0	0	0	108.9	N41 R42	D39-N41 PolarHBondContact O-N 3.11Å; D39-N41 WeakPolarHBondContact OD1-CA 3.43Å; D39-N41 VanDerWaalsContact OD1-CB 3.27Å; D39-N41 WeakPolarHBondContact OD1-CB 3.32Å; D39-N41 PolarHBondContact OD1-N 3.34Å; D39-N41 PolarHBondContact OD1-ND2 2.78Å; D39-R42 HydrophobicContact CB-CB 3.9Å; D39-R42 HydrophobicContact CB-CG 3.82Å; D39-R42 PolarHBondContact O-N 3.11Å
40	P	48.8	Very low	58.4	Low	70 Å²	70	54.1 Å²	54.1	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-8.4	171.1	-20.5	30.9	0	0	0	113.5	Y282 H283	P40-Y282 HydrophobicContact CB-CD1 3.93Å; P40-Y282 HydrophobicContact CB-CE1 3.43Å; P40-Y282 VanDerWaalsContact CB-CE1 3.43Å; P40-Y282 HydrophobicContact CB-CE2 4.45Å; P40-Y282 WeakPolarHBondContact O-CE1 3.42Å; P40-H283 PolarHBondContact O-CE1 2.93Å; P40-H283 PolarHBondContact O-NE2 3.03Å
41	N	51.5	Low	59.7	Low	111 Å²	111	54.5 Å²	54.5	59%	0.594	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-12.1	173	-48	-70.8	0	0	0	113.7	D39 H43	D39-N41 PolarHBondContact O-N 3.11Å; D39-N41 WeakPolarHBondContact OD1-CA 3.43Å; D39-N41 VanDerWaalsContact OD1-CB 3.27Å; D39-N41 WeakPolarHBondContact OD1-CB 3.32Å; D39-N41 PolarHBondContact OD1-N 3.34Å; D39-N41 PolarHBondContact OD1-ND2 2.78Å; N41-H43 PolarHBondContact O-N 3.1Å; N41-H43 VanDerWaalsContact O-N 3.12Å
42	R	53.5	Low	61.5	Low	111 Å²	111	49 Å²	49	42%	0.419	26%	0.255	S	S	.	.			trans	-76.2	97.9	168.5	-86.2	-174.7	169.9	-144.4	-4.6	107.4	D39	D39-R42 HydrophobicContact CB-CB 3.9Å; D39-R42 HydrophobicContact CB-CG 3.82Å; D39-R42 PolarHBondContact O-N 3.11Å
43	H	57.7	Low	63.3	Low	48 Å²	48	47 Å²	47	22%	0.222	24%	0.244	C	C	.	.			trans	-113.5	111.4	178.3	165.6	54.8	0	0	0	107.8	N41 I45 D48 H279	N41-H43 PolarHBondContact O-N 3.1Å; N41-H43 VanDerWaalsContact O-N 3.12Å; H43-I45 WeakPolarHBondContact CD2-CG1 3.38Å; H43-I45 VanDerWaalsContact NE2-CG1 3.34Å; H43-I45 WeakPolarHBondContact NE2-CG1 3.46Å; H43-I45 PolarHBondContact O-N 3.23Å; H43-D48 IonicContact CE1-OD1 3.09Å; H43-D48 IonicContact CE1-OD2 3.12Å; H43-D48 PolarHBondContact CE1-OD2 3.37Å; H43-D48 IonicContact ND1-OD1 2.81Å; H43-D48 PolarHBondContact ND1-OD1 2.9Å; H43-D48 VanDerWaalsContact ND1-OD1 3.11Å; H43-D48 IonicContact ND1-OD2 3.48Å; H43-D48 PolarHBondContact ND1-OD2 3.24Å; H43-H279 AromaticContact ND1-NE2 3.6Å
44	D	66.2	Low	65.1	Low	72 Å²	72	45.8 Å²	45.8	39%	0.385	24%	0.237	S	C	.	.			trans	-81.3	98.8	163	-174.7	-15.4	0	0	0	107.8	H35 E46 F47 D48	H35-D44 PolarHBondContact NE2-N 3.17Å; D44-E46 PolarHBondContact O-N 2.9Å; D44-E46 WeakPolarHBondContact OD1-CB 3.35Å; D44-E46 PolarHBondContact OD1-N 3.02Å; D44-F47 HydrophobicContact CB-CB 3.85Å; D44-F47 WeakPolarHBondContact O-CB 3.39Å; D44-F47 PolarHBondContact O-N 2.9Å; D44-F47 PolarHBondContact OD1-N 3.44Å; D44-D48 PolarHBondContact O-N 2.91Å; D44-D48 VanDerWaalsContact O-N 3.14Å
45	I	71.8	Confident	66.5	Low	66 Å²	66	48.2 Å²	48.2	34%	0.338	25%	0.249	S	C	.	.	H	α-helix	trans	-51.1	-39.3	179.9	-67.2	169.1	0	0	0	111.5	H43 F47 H49	H43-I45 WeakPolarHBondContact CD2-CG1 3.38Å; H43-I45 VanDerWaalsContact NE2-CG1 3.34Å; H43-I45 WeakPolarHBondContact NE2-CG1 3.46Å; H43-I45 PolarHBondContact O-N 3.23Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-H49 WeakPolarHBondContact CG2-CE1 3.39Å; I45-H49 VanDerWaalsContact CG2-NE2 3.34Å; I45-H49 WeakPolarHBondContact CG2-NE2 3.38Å; I45-H49 WeakPolarHBondContact O-CB 3.31Å; I45-H49 PolarHBondContact O-CD2 3.33Å; I45-H49 PolarHBondContact O-N 3.46Å; I45-H49 VanDerWaalsContact O-N 3.15Å; I45-H49 PolarHBondContact O-ND1 3.38Å; I45-H49 PolarHBondContact O-NE2 3.32Å
46	E	70.9	Confident	68.2	Low	130 Å²	130	50.3 Å²	50.3	61%	0.607	26%	0.259	S	S	*	.	H	α-helix	trans	-69.6	-35.6	-178.7	-173.7	175.9	178	0	0	111.4	D44 N50	D44-E46 PolarHBondContact O-N 2.9Å; D44-E46 WeakPolarHBondContact OD1-CB 3.35Å; D44-E46 PolarHBondContact OD1-N 3.02Å; E46-N50 WeakPolarHBondContact O-CB 3.24Å; E46-N50 VanDerWaalsContact O-CG 3.25Å; E46-N50 PolarHBondContact O-N 2.94Å; E46-N50 VanDerWaalsContact O-N 3.09Å; E46-N50 PolarHBondContact O-ND2 3.44Å
47	F	70.8	Confident	69.9	Low	32 Å²	32	50.5 Å²	50.5	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-64	-53.9	176.2	-175.1	-95.8	0	0	0	111.6	D32 H35 F36 D44 I45 H49 N50 A51	D32-F47 HydrophobicContact CB-CE2 4.15Å; D32-F47 HydrophobicContact CB-CZ 3.94Å; D32-F47 WeakPolarHBondContact OD1-CE2 3.47Å; H35-F47 HydrophobicContact CB-CD1 4.25Å; H35-F47 HydrophobicContact CB-CE1 4.37Å; H35-F47 AromaticContact CD2-CD1 3.29Å; H35-F47 WeakPolarHBondContact CD2-CD1 3.44Å; H35-F47 AromaticContact CD2-CG 3.53Å; H35-F47 AromaticContact CE1-CD1 3.79Å; H35-F47 AromaticContact CG-CD1 3.64Å; H35-F47 AromaticContact ND1-CD1 3.97Å; H35-F47 AromaticContact NE2-CD1 3.42Å; H35-F47 WeakPolarHBondContact NE2-CD1 3.47Å; H35-F47 AromaticContact NE2-CG 3.92Å; F36-F47 HydrophobicContact CE2-CE1 4.13Å; F36-F47 AromaticContact CZ-CE1 3.83Å; F36-F47 HydrophobicContact CZ-CE1 3.83Å; D44-F47 HydrophobicContact CB-CB 3.85Å; D44-F47 WeakPolarHBondContact O-CB 3.39Å; D44-F47 PolarHBondContact O-N 2.9Å; D44-F47 PolarHBondContact OD1-N 3.44Å; I45-F47 VanDerWaalsContact C-N 3.33Å; F47-H49 PolarHBondContact O-N 2.88Å; F47-N50 PolarHBondContact O-N 3.02Å; F47-A51 PolarHBondContact O-N 3.49Å
48	D	77.1	Confident	71.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-38.4	-179.7	-67.6	46.3	0	0	0	111.6	H35 H43 D44 A51 F52 E276 H279 L280 T303	H35-D48 IonicContact CD2-OD1 3.56Å; H35-D48 IonicContact CE1-OD1 3.57Å; H35-D48 PolarHBondContact CE1-OD1 3.33Å; H35-D48 IonicContact NE2-OD1 3.22Å; H35-D48 PolarHBondContact NE2-OD1 3.32Å; H43-D48 IonicContact CE1-OD1 3.09Å; H43-D48 IonicContact CE1-OD2 3.12Å; H43-D48 PolarHBondContact CE1-OD2 3.37Å; H43-D48 IonicContact ND1-OD1 2.81Å; H43-D48 PolarHBondContact ND1-OD1 2.9Å; H43-D48 VanDerWaalsContact ND1-OD1 3.11Å; H43-D48 IonicContact ND1-OD2 3.48Å; H43-D48 PolarHBondContact ND1-OD2 3.24Å; D44-D48 PolarHBondContact O-N 2.91Å; D44-D48 VanDerWaalsContact O-N 3.14Å; D48-A51 PolarHBondContact O-N 2.91Å; D48-F52 VanDerWaalsContact O-CB 3.28Å; D48-F52 WeakPolarHBondContact O-CB 3.29Å; D48-F52 PolarHBondContact O-N 3.37Å; D48-E276 WeakPolarHBondContact CA-OE1 3.41Å; D48-H279 IonicContact OD1-CD2 3.08Å; D48-H279 IonicContact OD1-NE2 3.92Å; D48-H279 IonicContact OD2-CD2 3.94Å; D48-H279 PolarHBondContact OD2-CD2 2.93Å; D48-H279 IonicContact OD2-NE2 2.61Å; D48-H279 PolarHBondContact OD2-NE2 3.21Å; D48-L280 HydrophobicContact CB-CD2 4.16Å; D48-T303 WeakPolarHBondContact CB-O 3.18Å
49	H	83.5	Confident	73.6	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-65.1	-43.3	177.3	-66.1	177.4	0	0	0	111.8	I45 F47 A51 F52 L53 D302 T303 F304 V305 S306	I45-H49 WeakPolarHBondContact CG2-CE1 3.39Å; I45-H49 VanDerWaalsContact CG2-NE2 3.34Å; I45-H49 WeakPolarHBondContact CG2-NE2 3.38Å; I45-H49 WeakPolarHBondContact O-CB 3.31Å; I45-H49 PolarHBondContact O-CD2 3.33Å; I45-H49 PolarHBondContact O-N 3.46Å; I45-H49 VanDerWaalsContact O-N 3.15Å; I45-H49 PolarHBondContact O-ND1 3.38Å; I45-H49 PolarHBondContact O-NE2 3.32Å; F47-H49 PolarHBondContact O-N 2.88Å; H49-A51 VanDerWaalsContact C-N 3.35Å; H49-F52 PolarHBondContact O-N 2.96Å; H49-L53 VanDerWaalsContact O-CB 3.25Å; H49-L53 WeakPolarHBondContact O-CB 3.39Å; H49-L53 WeakPolarHBondContact O-CG 3.2Å; H49-L53 PolarHBondContact O-N 2.75Å; H49-D302 PolarHBondContact NE2-O 3.36Å; H49-T303 PolarHBondContact CD2-O 3.1Å; H49-T303 VanDerWaalsContact CD2-O 3.32Å; H49-F304 PolarHBondContact CD2-O 3.38Å; H49-V305 PolarHBondContact CD2-N 2.93Å; H49-V305 VanDerWaalsContact CD2-N 3.28Å; H49-V305 PolarHBondContact CE1-O 3.08Å; H49-V305 VanDerWaalsContact NE2-C 3.35Å; H49-V305 PolarHBondContact NE2-N 2.77Å; H49-V305 PolarHBondContact NE2-O 3.46Å; H49-S306 VanDerWaalsContact CE1-CA 3.44Å; H49-S306 WeakPolarHBondContact CE1-CA 3.33Å; H49-S306 PolarHBondContact CE1-N 2.96Å; H49-S306 WeakPolarHBondContact ND1-CA 3.31Å; H49-S306 WeakPolarHBondContact ND1-CB 3.32Å; H49-S306 PolarHBondContact ND1-N 2.67Å
50	N	83.7	Confident	75.4	Confident	51 Å²	51	55.5 Å²	55.5	27%	0.273	28%	0.277	S	S	.	.	H	α-helix	trans	-68.3	-36.3	177.5	-74.1	-34.4	0	0	0	111.4	E46 F47 G54 A58	E46-N50 WeakPolarHBondContact O-CB 3.24Å; E46-N50 VanDerWaalsContact O-CG 3.25Å; E46-N50 PolarHBondContact O-N 2.94Å; E46-N50 VanDerWaalsContact O-N 3.09Å; E46-N50 PolarHBondContact O-ND2 3.44Å; F47-N50 PolarHBondContact O-N 3.02Å; N50-G54 WeakPolarHBondContact O-CA 3.48Å; N50-G54 PolarHBondContact O-N 3.01Å; N50-A58 WeakPolarHBondContact OD1-CB 3.4Å
51	A	80.6	Confident	77.1	Confident	22 Å²	22	52.3 Å²	52.3	18%	0.182	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-41	176.2	0	0	0	0	0	111.6	F47 D48 H49 V100 E276	F47-A51 PolarHBondContact O-N 3.49Å; D48-A51 PolarHBondContact O-N 2.91Å; H49-A51 VanDerWaalsContact C-N 3.35Å; A51-V100 WeakPolarHBondContact O-CG1 3.31Å; A51-E276 HydrophobicContact CB-CG 3.71Å
52	F	87.6	Confident	78.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-76.7	-36.7	-179.6	-175.5	-104.7	0	0	0	114	D48 H49 L73 I76 I80 L93 W96 L280 F304	D48-F52 VanDerWaalsContact O-CB 3.28Å; D48-F52 WeakPolarHBondContact O-CB 3.29Å; D48-F52 PolarHBondContact O-N 3.37Å; H49-F52 PolarHBondContact O-N 2.96Å; F52-L73 HydrophobicContact CE1-CD1 3.69Å; F52-L73 HydrophobicContact CZ-CD1 4.14Å; F52-I76 HydrophobicContact CE1-CG2 3.88Å; F52-I76 HydrophobicContact CZ-CG2 3.71Å; F52-I80 HydrophobicContact CE2-CD1 3.56Å; F52-I80 HydrophobicContact CZ-CD1 3.64Å; F52-L93 HydrophobicContact CD2-CD1 4.1Å; F52-L93 HydrophobicContact CE2-CD1 3.78Å; F52-W96 AromaticContact CD2-CD1 3.94Å; F52-W96 AromaticContact CD2-NE1 3.87Å; F52-W96 AromaticContact CE2-CD1 3.82Å; F52-W96 AromaticContact CE2-NE1 3.77Å; F52-W96 PolarHBondContact O-NE1 2.88Å; F52-L280 HydrophobicContact CD2-CD1 4.34Å; F52-F304 HydrophobicContact CD1-CB 3.94Å; F52-F304 HydrophobicContact CD1-CD1 4.13Å; F52-F304 AromaticContact CD2-CD1 3.69Å; F52-F304 HydrophobicContact CD2-CD1 3.69Å; F52-F304 HydrophobicContact CD2-CE1 4.26Å; F52-F304 HydrophobicContact CE1-CB 4.11Å; F52-F304 HydrophobicContact CE1-CD1 4.21Å; F52-F304 AromaticContact CE2-CD1 3.76Å; F52-F304 HydrophobicContact CE2-CD1 3.76Å; F52-F304 HydrophobicContact CE2-CE1 4.17Å; F52-F304 HydrophobicContact CG-CB 4.39Å; F52-F304 AromaticContact CG-CD1 3.88Å; F52-F304 HydrophobicContact CG-CD1 3.88Å; F52-F304 HydrophobicContact CZ-CD1 4.02Å
53	L	86.8	Confident	80.1	Confident	5 Å²	5	50.2 Å²	50.2	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-108	-28.1	-173.6	-59.8	175.7	0	0	0	113.8	H49 T57 A58 F61 I76 V100 V305	H49-L53 VanDerWaalsContact O-CB 3.25Å; H49-L53 WeakPolarHBondContact O-CB 3.39Å; H49-L53 WeakPolarHBondContact O-CG 3.2Å; H49-L53 PolarHBondContact O-N 2.75Å; L53-T57 HydrophobicContact CB-CG2 4.09Å; L53-T57 HydrophobicContact CD2-CG2 4.35Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-OG1 3.41Å; L53-A58 HydrophobicContact CB-CB 4.23Å; L53-A58 HydrophobicContact CD1-CB 4.17Å; L53-F61 HydrophobicContact CD1-CB 3.98Å; L53-F61 HydrophobicContact CD1-CD1 4.26Å; L53-F61 HydrophobicContact CD1-CD2 3.84Å; L53-F61 HydrophobicContact CD1-CE2 4.3Å; L53-F61 HydrophobicContact CD1-CG 3.77Å; L53-F61 HydrophobicContact CD2-CD2 4.25Å; L53-F61 HydrophobicContact CD2-CE2 3.87Å; L53-F61 HydrophobicContact CD2-CZ 4.02Å; L53-I76 HydrophobicContact CD2-CD1 3.44Å; L53-I76 VanDerWaalsContact CD2-CD1 3.44Å; L53-V100 VanDerWaalsContact C-CG1 3.41Å; L53-V305 HydrophobicContact CD1-CB 4.16Å; L53-V305 HydrophobicContact CD1-CG1 3.87Å; L53-V305 HydrophobicContact CD2-CG1 4.05Å; L53-V305 HydrophobicContact CG-CG1 4.29Å
54	G	86	Confident	81.5	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.			trans	82.8	150.1	-163.1	0	0	0	0	0	111.5	N50 E56 T57 A58 S104	N50-G54 WeakPolarHBondContact O-CA 3.48Å; N50-G54 PolarHBondContact O-N 3.01Å; G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 3.49Å; G54-T57 PolarHBondContact O-N 3Å; G54-A58 WeakPolarHBondContact O-CB 3.45Å; G54-A58 PolarHBondContact O-N 3.12Å; G54-S104 VanDerWaalsContact CA-OG 3.26Å; G54-S104 WeakPolarHBondContact CA-OG 3.39Å
55	E	83.4	Confident	82.4	Confident	82 Å²	82	49.5 Å²	49.5	38%	0.383	25%	0.251	S	S	.	.	H	α-helix	trans	-52.9	-41.9	-173.4	-169.1	-160.5	171.2	0	0	113.7	K59 R111	E55-K59 VanDerWaalsContact O-CG 3.31Å; E55-K59 WeakPolarHBondContact O-CG 3.31Å; E55-K59 PolarHBondContact O-N 2.95Å; E55-K59 VanDerWaalsContact O-N 3.15Å; E55-K59 WeakPolarHBondContact OE1-CE 3.5Å; E55-K59 IonicContact OE1-NZ 2.95Å; E55-K59 PolarHBondContact OE1-NZ 3.28Å; E55-R111 IonicContact OE2-NH2 3.36Å
56	E	82.5	Confident	83	Confident	64 Å²	64	48.9 Å²	48.9	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-51	-179.1	-64.8	-175.9	142.7	0	0	111.5	G54 A58 K59 E60 N107 R111	G54-E56 VanDerWaalsContact C-N 3.3Å; G54-E56 PolarHBondContact O-N 3.49Å; E56-A58 VanDerWaalsContact C-N 3.32Å; E56-A58 PolarHBondContact O-N 3.03Å; E56-K59 WeakPolarHBondContact O-CB 3.43Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-E60 PolarHBondContact O-N 2.82Å; E56-E60 VanDerWaalsContact O-N 3.08Å; E56-N107 PolarHBondContact OE2-ND2 3.32Å; E56-R111 WeakPolarHBondContact OE1-CD 3.39Å; E56-R111 IonicContact OE1-CZ 2.83Å; E56-R111 IonicContact OE1-NE 3.08Å; E56-R111 PolarHBondContact OE1-NE 3.12Å; E56-R111 IonicContact OE1-NH1 3.43Å; E56-R111 PolarHBondContact OE1-NH1 3.09Å; E56-R111 IonicContact OE1-NH2 2.65Å
57	T	85.1	Confident	83.8	Confident	47 Å²	47	48.6 Å²	48.6	29%	0.288	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-38.9	179.5	-42.9	0	0	0	0	110.7	L53 G54 K59 E60 F61	L53-T57 HydrophobicContact CB-CG2 4.09Å; L53-T57 HydrophobicContact CD2-CG2 4.35Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-OG1 3.41Å; G54-T57 PolarHBondContact O-N 3Å; T57-K59 VanDerWaalsContact C-N 3.32Å; T57-K59 PolarHBondContact O-N 3.07Å; T57-E60 WeakPolarHBondContact O-CB 3.32Å; T57-E60 PolarHBondContact O-N 2.9Å; T57-E60 VanDerWaalsContact O-N 3.14Å; T57-F61 HydrophobicContact CG2-CD2 3.8Å; T57-F61 HydrophobicContact CG2-CE2 3.72Å; T57-F61 VanDerWaalsContact O-CD2 3.31Å; T57-F61 WeakPolarHBondContact O-CD2 3.32Å; T57-F61 PolarHBondContact O-N 2.84Å
58	A	85.5	Confident	84.7	Confident	12 Å²	12	51.9 Å²	51.9	10%	0.099	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-41.3	175.5	0	0	0	0	0	111.8	N50 L53 G54 E56 F61 S62	N50-A58 WeakPolarHBondContact OD1-CB 3.4Å; L53-A58 HydrophobicContact CB-CB 4.23Å; L53-A58 HydrophobicContact CD1-CB 4.17Å; G54-A58 WeakPolarHBondContact O-CB 3.45Å; G54-A58 PolarHBondContact O-N 3.12Å; E56-A58 VanDerWaalsContact C-N 3.32Å; E56-A58 PolarHBondContact O-N 3.03Å; A58-F61 PolarHBondContact O-N 2.92Å; A58-S62 PolarHBondContact O-N 2.77Å
59	K	84.6	Confident	85.2	Confident	111 Å²	111	51.9 Å²	51.9	48%	0.483	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-40.4	173.3	-73.8	171.4	-173.5	175.4	0	112.2	E55 E56 T57 S62	E55-K59 VanDerWaalsContact O-CG 3.31Å; E55-K59 WeakPolarHBondContact O-CG 3.31Å; E55-K59 PolarHBondContact O-N 2.95Å; E55-K59 VanDerWaalsContact O-N 3.15Å; E55-K59 WeakPolarHBondContact OE1-CE 3.5Å; E55-K59 IonicContact OE1-NZ 2.95Å; E55-K59 PolarHBondContact OE1-NZ 3.28Å; E56-K59 WeakPolarHBondContact O-CB 3.43Å; E56-K59 PolarHBondContact O-N 2.94Å; T57-K59 VanDerWaalsContact C-N 3.32Å; T57-K59 PolarHBondContact O-N 3.07Å; K59-S62 PolarHBondContact O-N 3.47Å; K59-S62 PolarHBondContact O-OG 3.23Å
60	E	85.3	Confident	85.5	Confident	124 Å²	124	54.1 Å²	54.1	58%	0.579	28%	0.28	S	S	*	.	H	α-helix	trans	-63	-46.2	174.2	-67.9	177.9	178	0	0	111.5	E56 T57 S62 Q63	E56-E60 PolarHBondContact O-N 2.82Å; E56-E60 VanDerWaalsContact O-N 3.08Å; T57-E60 WeakPolarHBondContact O-CB 3.32Å; T57-E60 PolarHBondContact O-N 2.9Å; T57-E60 VanDerWaalsContact O-N 3.14Å; E60-S62 VanDerWaalsContact C-N 3.32Å; E60-S62 PolarHBondContact O-N 2.89Å; E60-Q63 WeakPolarHBondContact O-CB 3.13Å; E60-Q63 PolarHBondContact O-N 2.8Å; E60-Q63 VanDerWaalsContact O-N 3.1Å
61	F	85.9	Confident	85.9	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.013	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-39.8	177.7	-94.6	-102.5	0	0	0	112.9	L53 T57 A58 Q63 L64 S69 Q72 L73 I76 V305 S306	L53-F61 HydrophobicContact CD1-CB 3.98Å; L53-F61 HydrophobicContact CD1-CD1 4.26Å; L53-F61 HydrophobicContact CD1-CD2 3.84Å; L53-F61 HydrophobicContact CD1-CE2 4.3Å; L53-F61 HydrophobicContact CD1-CG 3.77Å; L53-F61 HydrophobicContact CD2-CD2 4.25Å; L53-F61 HydrophobicContact CD2-CE2 3.87Å; L53-F61 HydrophobicContact CD2-CZ 4.02Å; T57-F61 HydrophobicContact CG2-CD2 3.8Å; T57-F61 HydrophobicContact CG2-CE2 3.72Å; T57-F61 VanDerWaalsContact O-CD2 3.31Å; T57-F61 WeakPolarHBondContact O-CD2 3.32Å; T57-F61 PolarHBondContact O-N 2.84Å; A58-F61 PolarHBondContact O-N 2.92Å; F61-Q63 PolarHBondContact O-N 2.73Å; F61-L64 HydrophobicContact CD1-CD1 4.38Å; F61-L64 HydrophobicContact CG-CD1 4.38Å; F61-L64 WeakPolarHBondContact O-CB 3.46Å; F61-L64 PolarHBondContact O-N 3.35Å; F61-S69 WeakPolarHBondContact CD1-OG 3.07Å; F61-Q72 HydrophobicContact CD2-CG 4.41Å; F61-Q72 HydrophobicContact CE1-CB 3.97Å; F61-Q72 HydrophobicContact CE1-CG 4.05Å; F61-Q72 HydrophobicContact CE2-CB 4.26Å; F61-Q72 HydrophobicContact CE2-CG 3.44Å; F61-Q72 VanDerWaalsContact CE2-CG 3.44Å; F61-Q72 HydrophobicContact CZ-CB 3.64Å; F61-Q72 HydrophobicContact CZ-CG 3.24Å; F61-L73 HydrophobicContact CE1-CB 4.42Å; F61-I76 HydrophobicContact CE2-CD1 3.8Å; F61-I76 HydrophobicContact CZ-CD1 3.59Å; F61-V305 HydrophobicContact CD1-CB 3.71Å; F61-V305 HydrophobicContact CD1-CG1 3.81Å; F61-V305 HydrophobicContact CD1-CG2 4.18Å; F61-V305 HydrophobicContact CE1-CB 4.09Å; F61-V305 HydrophobicContact CE1-CG1 3.7Å; F61-V305 HydrophobicContact CE1-CG2 4.42Å; F61-V305 HydrophobicContact CZ-CG1 4.42Å; F61-S306 CarbonylContact C-O 3.49Å; F61-S306 VanDerWaalsContact C-O 3.28Å
62	S	82.1	Confident	86.4	Confident	36 Å²	36	59 Å²	59	25%	0.252	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-21.2	177.9	78.6	0	0	0	0	113.6	A58 K59 E60 S306 Q308	A58-S62 PolarHBondContact O-N 2.77Å; K59-S62 PolarHBondContact O-N 3.47Å; K59-S62 PolarHBondContact O-OG 3.23Å; E60-S62 VanDerWaalsContact C-N 3.32Å; E60-S62 PolarHBondContact O-N 2.89Å; S62-S306 PolarHBondContact N-O 2.93Å; S62-Q308 WeakPolarHBondContact O-CG 3.43Å
63	Q	85.5	Confident	86.6	Confident	141 Å²	141	59 Å²	59	66%	0.659	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-10.8	179.4	-60.5	176.8	17.2	0	0	113.1	E60 F61 Q308	E60-Q63 WeakPolarHBondContact O-CB 3.13Å; E60-Q63 PolarHBondContact O-N 2.8Å; E60-Q63 VanDerWaalsContact O-N 3.1Å; F61-Q63 PolarHBondContact O-N 2.73Å; Q63-Q308 PolarHBondContact O-NE2 3.45Å
64	L	85.9	Confident	87	Confident	45 Å²	45	60.3 Å²	60.3	24%	0.236	30%	0.303	C	S	.	.	S	Bend	trans	-78.6	149.2	-178.9	-62.3	-178.6	0	0	0	111.9	F61 E68 Q72 Q308	F61-L64 HydrophobicContact CD1-CD1 4.38Å; F61-L64 HydrophobicContact CG-CD1 4.38Å; F61-L64 WeakPolarHBondContact O-CB 3.46Å; F61-L64 PolarHBondContact O-N 3.35Å; L64-E68 HydrophobicContact CB-CB 4.01Å; L64-E68 HydrophobicContact CD1-CB 4.49Å; L64-E68 HydrophobicContact CD2-CB 4.2Å; L64-E68 HydrophobicContact CG-CB 4.46Å; L64-Q72 HydrophobicContact CD1-CB 4.12Å; L64-Q72 HydrophobicContact CD1-CG 4.43Å; L64-Q308 PolarHBondContact O-N 2.98Å
65	T	86.3	Confident	87.3	Confident	60 Å²	60	63.8 Å²	63.8	37%	0.368	32%	0.321	S	S	.	.			trans	-67.1	160.3	165.5	64.2	0	0	0	0	110.4	N67 E68 S69	T65-N67 VanDerWaalsContact C-N 3.26Å; T65-N67 PolarHBondContact O-N 2.89Å; T65-E68 WeakPolarHBondContact CB-OE2 3.32Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.48Å; T65-E68 PolarHBondContact N-OE2 3.1Å; T65-E68 PolarHBondContact O-N 3.33Å; T65-E68 VanDerWaalsContact O-N 3.12Å; T65-E68 VanDerWaalsContact OG1-CG 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.34Å; T65-E68 PolarHBondContact OG1-N 2.92Å; T65-E68 PolarHBondContact OG1-OE2 2.93Å; T65-S69 WeakPolarHBondContact O-CB 3.21Å; T65-S69 PolarHBondContact O-N 2.77Å
66	P	83.3	Confident	87.8	Confident	53 Å²	53	60.2 Å²	60.2	34%	0.344	30%	0.304	S	S	.	.	H	α-helix	trans	-54.6	-40.3	-180	-29.8	37.9	0	0	0	113.8	E70 A309	P66-E70 WeakPolarHBondContact O-CB 3.23Å; P66-E70 PolarHBondContact O-N 2.95Å; P66-A309 HydrophobicContact CG-CB 3.48Å; P66-A309 VanDerWaalsContact CG-CB 3.48Å
67	N	87.9	Confident	88.4	Confident	124 Å²	124	57.6 Å²	57.6	66%	0.663	29%	0.292	S	S	*	.	H	α-helix	trans	-69.5	-41.7	179.1	-66.9	-10.3	0	0	0	111.7	T65 E70 E71	T65-N67 VanDerWaalsContact C-N 3.26Å; T65-N67 PolarHBondContact O-N 2.89Å; N67-E70 PolarHBondContact O-N 3.14Å; N67-E71 WeakPolarHBondContact O-CG 3.11Å; N67-E71 PolarHBondContact O-N 3.42Å
68	E	90	Very high	88.8	Confident	101 Å²	101	62.9 Å²	62.9	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-40.3	176.7	-70.7	164.8	148	0	0	111.6	L64 T65 E70 E71 Q72	L64-E68 HydrophobicContact CB-CB 4.01Å; L64-E68 HydrophobicContact CD1-CB 4.49Å; L64-E68 HydrophobicContact CD2-CB 4.2Å; L64-E68 HydrophobicContact CG-CB 4.46Å; T65-E68 WeakPolarHBondContact CB-OE2 3.32Å; T65-E68 WeakPolarHBondContact CG2-OE2 3.48Å; T65-E68 PolarHBondContact N-OE2 3.1Å; T65-E68 PolarHBondContact O-N 3.33Å; T65-E68 VanDerWaalsContact O-N 3.12Å; T65-E68 VanDerWaalsContact OG1-CG 3.26Å; T65-E68 WeakPolarHBondContact OG1-CG 3.34Å; T65-E68 PolarHBondContact OG1-N 2.92Å; T65-E68 PolarHBondContact OG1-OE2 2.93Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.22Å; E68-E71 PolarHBondContact O-N 3.22Å; E68-Q72 WeakPolarHBondContact O-CB 3.49Å; E68-Q72 PolarHBondContact O-N 3.45Å
69	S	88.3	Confident	89.2	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-41.4	174.6	-176.6	0	0	0	0	111.4	F61 T65 L73 V305	F61-S69 WeakPolarHBondContact CD1-OG 3.07Å; T65-S69 WeakPolarHBondContact O-CB 3.21Å; T65-S69 PolarHBondContact O-N 2.77Å; S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.25Å; S69-L73 PolarHBondContact O-N 2.98Å; S69-V305 WeakPolarHBondContact OG-CG2 3.4Å
70	E	89.3	Confident	89.7	Confident	54 Å²	54	62.2 Å²	62.2	25%	0.252	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-47	176.3	-169.9	-175.3	130.4	0	0	111.5	P66 N67 E68 Q72 L73 K74 I298	P66-E70 WeakPolarHBondContact O-CB 3.23Å; P66-E70 PolarHBondContact O-N 2.95Å; N67-E70 PolarHBondContact O-N 3.14Å; E68-E70 VanDerWaalsContact C-N 3.32Å; E68-E70 PolarHBondContact O-N 3.22Å; E70-Q72 VanDerWaalsContact C-N 3.33Å; E70-Q72 PolarHBondContact O-N 2.83Å; E70-L73 WeakPolarHBondContact O-CB 3.31Å; E70-L73 PolarHBondContact O-N 3.08Å; E70-K74 WeakPolarHBondContact O-CG 3.16Å; E70-K74 PolarHBondContact O-N 3.28Å; E70-K74 VanDerWaalsContact OE1-CE 3.3Å; E70-K74 WeakPolarHBondContact OE1-CE 3.2Å; E70-K74 IonicContact OE1-NZ 2.8Å; E70-K74 PolarHBondContact OE1-NZ 2.93Å; E70-I298 HydrophobicContact CG-CD1 3.86Å; E70-I298 HydrophobicContact CG-CG1 4.38Å; E70-I298 HydrophobicContact CG-CG2 4.05Å
71	E	92.2	Very high	90.1	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-38.8	178.6	-69.9	-58.5	117.5	0	0	112.2	N67 E68 K74 I75	N67-E71 WeakPolarHBondContact O-CG 3.11Å; N67-E71 PolarHBondContact O-N 3.42Å; E68-E71 PolarHBondContact O-N 3.22Å; E71-K74 PolarHBondContact O-N 3.35Å; E71-K74 IonicContact OE1-NZ 2.87Å; E71-K74 PolarHBondContact OE1-NZ 3.15Å; E71-I75 WeakPolarHBondContact O-CG1 3.2Å; E71-I75 PolarHBondContact O-N 3.18Å
72	Q	91.6	Very high	90.4	Very high	69 Å²	69	63.6 Å²	63.6	32%	0.322	31%	0.307	S	S	.	.	H	α-helix	trans	-68.4	-37.8	175.4	-169	67.2	-0.6	0	0	111.7	F61 L64 E68 E70 I75 I76	F61-Q72 HydrophobicContact CD2-CG 4.41Å; F61-Q72 HydrophobicContact CE1-CB 3.97Å; F61-Q72 HydrophobicContact CE1-CG 4.05Å; F61-Q72 HydrophobicContact CE2-CB 4.26Å; F61-Q72 HydrophobicContact CE2-CG 3.44Å; F61-Q72 VanDerWaalsContact CE2-CG 3.44Å; F61-Q72 HydrophobicContact CZ-CB 3.64Å; F61-Q72 HydrophobicContact CZ-CG 3.24Å; L64-Q72 HydrophobicContact CD1-CB 4.12Å; L64-Q72 HydrophobicContact CD1-CG 4.43Å; E68-Q72 WeakPolarHBondContact O-CB 3.49Å; E68-Q72 PolarHBondContact O-N 3.45Å; E70-Q72 VanDerWaalsContact C-N 3.33Å; E70-Q72 PolarHBondContact O-N 2.83Å; Q72-I75 WeakPolarHBondContact O-CB 3.31Å; Q72-I75 PolarHBondContact O-N 2.94Å; Q72-I76 PolarHBondContact O-N 2.69Å; Q72-I76 VanDerWaalsContact O-N 3.11Å
73	L	92.3	Very high	90.9	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-42.3	174	-176.6	53.5	0	0	0	111.1	F52 F61 S69 E70 I75 I76 I77 I297 I298 R301 V305	F52-L73 HydrophobicContact CE1-CD1 3.69Å; F52-L73 HydrophobicContact CZ-CD1 4.14Å; F61-L73 HydrophobicContact CE1-CB 4.42Å; S69-L73 VanDerWaalsContact O-CB 3.24Å; S69-L73 WeakPolarHBondContact O-CB 3.25Å; S69-L73 PolarHBondContact O-N 2.98Å; E70-L73 WeakPolarHBondContact O-CB 3.31Å; E70-L73 PolarHBondContact O-N 3.08Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 3.02Å; L73-I76 WeakPolarHBondContact O-CA 3.46Å; L73-I76 WeakPolarHBondContact O-CB 3.34Å; L73-I76 PolarHBondContact O-N 3.29Å; L73-I77 HydrophobicContact CD1-CG1 4.47Å; L73-I77 HydrophobicContact CG-CD1 4.17Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.07Å; L73-I297 HydrophobicContact CD1-CG2 4.16Å; L73-I297 HydrophobicContact CD2-CG2 4.08Å; L73-I297 HydrophobicContact CG-CG2 4.21Å; L73-I298 HydrophobicContact CB-CD1 4.29Å; L73-I298 HydrophobicContact CD2-CD1 3.72Å; L73-I298 HydrophobicContact CG-CD1 3.94Å; L73-R301 HydrophobicContact CD2-CB 3.89Å; L73-V305 HydrophobicContact CD1-CG1 3.93Å; L73-V305 HydrophobicContact CD2-CG1 4.3Å; L73-V305 HydrophobicContact CD2-CG2 4.26Å
74	K	93.8	Very high	91.3	Very high	31 Å²	31	65.1 Å²	65.1	14%	0.135	32%	0.316	C	S	.	.	H	α-helix	trans	-58.8	-38.1	173.6	-70	174.2	-174.2	156	0	113	E70 E71 I76 I77 R78 E294 I298	E70-K74 WeakPolarHBondContact O-CG 3.16Å; E70-K74 PolarHBondContact O-N 3.28Å; E70-K74 VanDerWaalsContact OE1-CE 3.3Å; E70-K74 WeakPolarHBondContact OE1-CE 3.2Å; E70-K74 IonicContact OE1-NZ 2.8Å; E70-K74 PolarHBondContact OE1-NZ 2.93Å; E71-K74 PolarHBondContact O-N 3.35Å; E71-K74 IonicContact OE1-NZ 2.87Å; E71-K74 PolarHBondContact OE1-NZ 3.15Å; K74-I76 VanDerWaalsContact C-N 3.31Å; K74-I76 PolarHBondContact O-N 2.84Å; K74-I77 PolarHBondContact O-N 3.41Å; K74-R78 WeakPolarHBondContact O-CG 3.5Å; K74-R78 PolarHBondContact O-N 3.35Å; K74-E294 WeakPolarHBondContact CD-OE1 3.47Å; K74-E294 WeakPolarHBondContact CE-OE1 3.33Å; K74-E294 HydrophobicContact CG-CG 4.47Å; K74-E294 WeakPolarHBondContact CG-OE1 3.49Å; K74-I298 HydrophobicContact CG-CD1 4.29Å
75	I	93.2	Very high	91.7	Very high	74 Å²	74	66.5 Å²	66.5	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-38.5	175	-67.2	166.3	0	0	0	110.8	E71 Q72 L73 K79	E71-I75 WeakPolarHBondContact O-CG1 3.2Å; E71-I75 PolarHBondContact O-N 3.18Å; Q72-I75 WeakPolarHBondContact O-CB 3.31Å; Q72-I75 PolarHBondContact O-N 2.94Å; L73-I75 VanDerWaalsContact C-N 3.29Å; L73-I75 PolarHBondContact O-N 3.02Å; I75-K79 WeakPolarHBondContact O-CG 3.43Å; I75-K79 PolarHBondContact O-N 2.78Å
76	I	93.7	Very high	92	Very high	6 Å²	6	71.4 Å²	71.4	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-67.6	-48.1	176.2	-67.6	176.4	0	0	0	110.7	F52 L53 F61 Q72 L73 K74 R78 K79 I80 W96	F52-I76 HydrophobicContact CE1-CG2 3.88Å; F52-I76 HydrophobicContact CZ-CG2 3.71Å; L53-I76 HydrophobicContact CD2-CD1 3.44Å; L53-I76 VanDerWaalsContact CD2-CD1 3.44Å; F61-I76 HydrophobicContact CE2-CD1 3.8Å; F61-I76 HydrophobicContact CZ-CD1 3.59Å; Q72-I76 PolarHBondContact O-N 2.69Å; Q72-I76 VanDerWaalsContact O-N 3.11Å; L73-I76 WeakPolarHBondContact O-CA 3.46Å; L73-I76 WeakPolarHBondContact O-CB 3.34Å; L73-I76 PolarHBondContact O-N 3.29Å; K74-I76 VanDerWaalsContact C-N 3.31Å; K74-I76 PolarHBondContact O-N 2.84Å; I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 PolarHBondContact O-N 3.43Å; I76-K79 WeakPolarHBondContact O-CA 3.34Å; I76-K79 VanDerWaalsContact O-CB 3.32Å; I76-K79 WeakPolarHBondContact O-CB 3.07Å; I76-K79 PolarHBondContact O-N 3.38Å; I76-I80 HydrophobicContact CG2-CD1 3.83Å; I76-I80 HydrophobicContact CG2-CG1 4.23Å; I76-I80 WeakPolarHBondContact O-CG1 3.25Å; I76-I80 PolarHBondContact O-N 3.24Å; I76-W96 HydrophobicContact CG1-CZ2 4.44Å; I76-W96 HydrophobicContact CG2-CH2 4.06Å; I76-W96 HydrophobicContact CG2-CZ2 3.48Å; I76-W96 VanDerWaalsContact CG2-CZ2 3.48Å
77	I	94.1	Very high	92.6	Very high	9 Å²	9	74.2 Å²	74.2	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-50.7	-47.1	177.7	-68.1	169.1	0	0	0	110.7	L73 K74 K79 I80 D81 I88 E294 I297 I298	L73-I77 HydrophobicContact CD1-CG1 4.47Å; L73-I77 HydrophobicContact CG-CD1 4.17Å; L73-I77 VanDerWaalsContact O-CG1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 3.07Å; K74-I77 PolarHBondContact O-N 3.41Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.86Å; I77-I80 WeakPolarHBondContact O-CB 3.44Å; I77-I80 PolarHBondContact O-N 3Å; I77-D81 PolarHBondContact O-N 3.47Å; I77-I88 HydrophobicContact CB-CD1 4.38Å; I77-I88 HydrophobicContact CG2-CD1 3.74Å; I77-E294 HydrophobicContact CD1-CB 4.47Å; I77-E294 HydrophobicContact CD1-CG 3.96Å; I77-E294 HydrophobicContact CG2-CB 4.35Å; I77-I297 HydrophobicContact CD1-CB 3.89Å; I77-I297 HydrophobicContact CD1-CD1 4.19Å; I77-I297 HydrophobicContact CD1-CG2 3.66Å; I77-I297 HydrophobicContact CG1-CD1 3.99Å; I77-I297 HydrophobicContact CG1-CG2 4.06Å; I77-I298 HydrophobicContact CD1-CD1 4.15Å
78	R	94.1	Very high	93	Very high	158 Å²	158	68.3 Å²	68.3	60%	0.596	32%	0.315	S	S	*	.	H	α-helix	trans	-65.6	-21.8	176.5	-67	175.5	-169	167.6	6.5	114.8	K74 I76	K74-R78 WeakPolarHBondContact O-CG 3.5Å; K74-R78 PolarHBondContact O-N 3.35Å; I76-R78 VanDerWaalsContact C-N 3.25Å; I76-R78 PolarHBondContact O-N 3.43Å
79	K	94.5	Very high	93.3	Very high	108 Å²	108	65.6 Å²	65.6	47%	0.47	31%	0.305	S	S	.	.	H	α-helix	trans	-81.1	-28.1	173.1	-70.9	172.5	-180	175.3	0	111.7	I75 I76 I77 K82 W96	I75-K79 WeakPolarHBondContact O-CG 3.43Å; I75-K79 PolarHBondContact O-N 2.78Å; I76-K79 WeakPolarHBondContact O-CA 3.34Å; I76-K79 VanDerWaalsContact O-CB 3.32Å; I76-K79 WeakPolarHBondContact O-CB 3.07Å; I76-K79 PolarHBondContact O-N 3.38Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.86Å; K79-K82 WeakPolarHBondContact O-CE 3.36Å; K79-K82 PolarHBondContact O-NZ 3.42Å; K79-W96 HydrophobicContact CB-CZ3 4.06Å; K79-W96 HydrophobicContact CD-CH2 4.41Å; K79-W96 HydrophobicContact CD-CZ3 4.34Å
80	I	94.3	Very high	93.6	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-76.2	-52.6	179	-59.8	175	0	0	0	109.4	F52 I76 I77 K82 I88 E92 L93 W96	F52-I80 HydrophobicContact CE2-CD1 3.56Å; F52-I80 HydrophobicContact CZ-CD1 3.64Å; I76-I80 HydrophobicContact CG2-CD1 3.83Å; I76-I80 HydrophobicContact CG2-CG1 4.23Å; I76-I80 WeakPolarHBondContact O-CG1 3.25Å; I76-I80 PolarHBondContact O-N 3.24Å; I77-I80 WeakPolarHBondContact O-CB 3.44Å; I77-I80 PolarHBondContact O-N 3Å; I80-K82 WeakPolarHBondContact O-CG 3.39Å; I80-K82 PolarHBondContact O-N 2.91Å; I80-I88 HydrophobicContact CB-CD1 3.95Å; I80-I88 HydrophobicContact CB-CG1 4.33Å; I80-I88 HydrophobicContact CD1-CD1 4.49Å; I80-I88 HydrophobicContact CG2-CB 4.47Å; I80-I88 HydrophobicContact CG2-CD1 3.9Å; I80-I88 HydrophobicContact CG2-CG1 3.96Å; I80-I88 HydrophobicContact CG2-CG2 3.69Å; I80-E92 HydrophobicContact CG2-CB 4.1Å; I80-L93 HydrophobicContact CD1-CD1 4.25Å; I80-W96 HydrophobicContact CB-CB 4.47Å; I80-W96 HydrophobicContact CD1-CB 4.24Å; I80-W96 HydrophobicContact CD1-CD2 4.03Å; I80-W96 HydrophobicContact CD1-CG 3.7Å; I80-W96 HydrophobicContact CG1-CB 3.78Å; I80-W96 HydrophobicContact CG1-CD2 3.58Å; I80-W96 HydrophobicContact CG1-CE3 3.96Å; I80-W96 HydrophobicContact CG1-CG 3.48Å; I80-W96 VanDerWaalsContact CG1-CG 3.48Å; I80-W96 HydrophobicContact CG2-CB 4.15Å
81	D	94.9	Very high	93.9	Very high	12 Å²	12	73 Å²	73	6%	0.064	34%	0.343	C	S	.	.			trans	-62.1	97.3	174.5	178.3	-0.8	0	0	0	109.7	I77 N83 N84 D85 E86 I88	I77-D81 PolarHBondContact O-N 3.47Å; D81-N83 PolarHBondContact OD1-N 3.5Å; D81-N83 PolarHBondContact OD1-OD1 3.07Å; D81-N84 WeakPolarHBondContact OD1-CA 3.35Å; D81-N84 PolarHBondContact OD1-N 3.12Å; D81-N84 WeakPolarHBondContact OD2-CA 3.25Å; D81-D85 PolarHBondContact OD1-N 3.4Å; D81-D85 PolarHBondContact OD2-N 2.97Å; D81-E86 WeakPolarHBondContact OD2-CA 3.28Å; D81-E86 PolarHBondContact OD2-N 2.86Å; D81-I88 HydrophobicContact CB-CG1 4.15Å
82	K	91.4	Very high	94.1	Very high	145 Å²	145	68.8 Å²	68.8	63%	0.63	32%	0.324	S	S	*	.	S	Bend	trans	-82.1	-31.5	-174.1	-68.3	-52	-173.4	-165.5	0	111.6	K79 I80 E92	K79-K82 WeakPolarHBondContact O-CE 3.36Å; K79-K82 PolarHBondContact O-NZ 3.42Å; I80-K82 WeakPolarHBondContact O-CG 3.39Å; I80-K82 PolarHBondContact O-N 2.91Å; K82-E92 PolarHBondContact N-OE1 2.75Å
83	N	93.4	Very high	94.3	Very high	89 Å²	89	65.6 Å²	65.6	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-90.1	-9.1	-176.1	71.9	9.1	0	0	0	112.3	D81 D85	D81-N83 PolarHBondContact OD1-N 3.5Å; D81-N83 PolarHBondContact OD1-OD1 3.07Å; N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 VanDerWaalsContact ND2-CG 3.32Å; N83-D85 PolarHBondContact ND2-OD2 3.15Å; N83-D85 WeakPolarHBondContact OD1-CB 3.49Å; N83-D85 PolarHBondContact OD1-N 3.27Å; N83-D85 PolarHBondContact OD1-OD1 3.27Å; N83-D85 PolarHBondContact OD1-OD2 3.47Å
84	N	92.2	Very high	94.4	Very high	120 Å²	120	67.1 Å²	67.1	64%	0.642	32%	0.315	S	S	*	.			trans	56.8	41.3	-176.3	-57.3	-76.6	0	0	0	113	D81	D81-N84 WeakPolarHBondContact OD1-CA 3.35Å; D81-N84 PolarHBondContact OD1-N 3.12Å; D81-N84 WeakPolarHBondContact OD2-CA 3.25Å
85	D	94.6	Very high	94.5	Very high	73 Å²	73	68.8 Å²	68.8	39%	0.39	33%	0.331	S	S	.	.	S	Bend	trans	-94.4	7.6	175.6	75.7	8	0	0	0	113.7	D81 N83 R87	D81-D85 PolarHBondContact OD1-N 3.4Å; D81-D85 PolarHBondContact OD2-N 2.97Å; N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 VanDerWaalsContact ND2-CG 3.32Å; N83-D85 PolarHBondContact ND2-OD2 3.15Å; N83-D85 WeakPolarHBondContact OD1-CB 3.49Å; N83-D85 PolarHBondContact OD1-N 3.27Å; N83-D85 PolarHBondContact OD1-OD1 3.27Å; N83-D85 PolarHBondContact OD1-OD2 3.47Å; D85-R87 PolarHBondContact O-N 3.24Å; D85-R87 WeakPolarHBondContact OD1-CA 3.39Å; D85-R87 VanDerWaalsContact OD1-CB 3.32Å; D85-R87 WeakPolarHBondContact OD1-CB 3.24Å; D85-R87 PolarHBondContact OD1-N 3.38Å
86	E	93.2	Very high	94.7	Very high	164 Å²	164	66.5 Å²	66.5	77%	0.766	32%	0.317	S	S	*	.	S	Bend	trans	66.1	14.6	-179.2	-53.4	178	176.9	0	0	113.6	D81	D81-E86 WeakPolarHBondContact OD2-CA 3.28Å; D81-E86 PolarHBondContact OD2-N 2.86Å
87	R	95	Very high	94.6	Very high	111 Å²	111	66.3 Å²	66.3	42%	0.419	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.7	179	-61.6	162.6	172.1	-91.7	-3.9	109.5	D85 D289 L291	D85-R87 PolarHBondContact O-N 3.24Å; D85-R87 WeakPolarHBondContact OD1-CA 3.39Å; D85-R87 VanDerWaalsContact OD1-CB 3.32Å; D85-R87 WeakPolarHBondContact OD1-CB 3.24Å; D85-R87 PolarHBondContact OD1-N 3.38Å; R87-D289 IonicContact NH1-OD2 2.74Å; R87-L291 HydrophobicContact CB-CB 4.47Å; R87-L291 HydrophobicContact CB-CD1 4.43Å
88	I	96.3	Very high	94.6	Very high	1 Å²	1	70.2 Å²	70.2	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.8	175.5	-70.1	165.7	0	0	0	108.9	I77 I80 D81 E92 L93 L292 I297	I77-I88 HydrophobicContact CB-CD1 4.38Å; I77-I88 HydrophobicContact CG2-CD1 3.74Å; I80-I88 HydrophobicContact CB-CD1 3.95Å; I80-I88 HydrophobicContact CB-CG1 4.33Å; I80-I88 HydrophobicContact CD1-CD1 4.49Å; I80-I88 HydrophobicContact CG2-CB 4.47Å; I80-I88 HydrophobicContact CG2-CD1 3.9Å; I80-I88 HydrophobicContact CG2-CG1 3.96Å; I80-I88 HydrophobicContact CG2-CG2 3.69Å; D81-I88 HydrophobicContact CB-CG1 4.15Å; I88-E92 HydrophobicContact CG2-CB 4.36Å; I88-L93 HydrophobicContact CG2-CB 3.95Å; I88-L292 HydrophobicContact CB-CB 4.19Å; I88-L292 PolarHBondContact N-O 3.49Å; I88-L292 PolarHBondContact O-N 3.47Å; I88-I297 HydrophobicContact CD1-CD1 3.56Å
89	T	96.3	Very high	94.7	Very high	43 Å²	43	69.1 Å²	69.1	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	160.9	172.1	61.4	0	0	0	0	111.9	L91 E92 L93 F281 L291	T89-L91 PolarHBondContact O-N 3.46Å; T89-E92 PolarHBondContact N-OE2 3.1Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 VanDerWaalsContact O-N 3.15Å; T89-E92 WeakPolarHBondContact OG1-CG 3.34Å; T89-E92 PolarHBondContact OG1-N 3.23Å; T89-E92 PolarHBondContact OG1-OE2 3.37Å; T89-L93 PolarHBondContact O-N 2.86Å; T89-F281 VanDerWaalsContact C-CZ 3.46Å; T89-L291 HydrophobicContact CG2-CD2 3.72Å
90	E	94.9	Very high	94.6	Very high	80 Å²	80	64.3 Å²	64.3	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-54	-40.1	173.3	-169.6	-179.6	159.2	0	0	111.5	L93 K94 T277 K278 F281	E90-L93 PolarHBondContact O-N 3.47Å; E90-K94 VanDerWaalsContact O-CB 3.25Å; E90-K94 WeakPolarHBondContact O-CB 3.21Å; E90-K94 PolarHBondContact O-N 3.05Å; E90-T277 HydrophobicContact CG-CG2 3.65Å; E90-T277 WeakPolarHBondContact O-CG2 3.39Å; E90-K278 WeakPolarHBondContact OE1-CE 3.4Å; E90-F281 VanDerWaalsContact CA-CE2 3.45Å; E90-F281 HydrophobicContact CB-CE2 4.13Å; E90-F281 HydrophobicContact CB-CZ 4.21Å; E90-F281 HydrophobicContact CG-CD2 4.46Å; E90-F281 HydrophobicContact CG-CE2 4.49Å; E90-F281 VanDerWaalsContact N-CZ 3.28Å
91	L	95.7	Very high	94.4	Very high	130 Å²	130	66.3 Å²	66.3	68%	0.681	33%	0.327	S	S	*	.	H	α-helix	trans	-66.5	-38.4	179	-68.5	174.5	0	0	0	113.2	T89 S95	T89-L91 PolarHBondContact O-N 3.46Å; L91-S95 WeakPolarHBondContact O-CB 3.41Å; L91-S95 PolarHBondContact O-N 3.24Å; L91-S95 PolarHBondContact O-OG 2.81Å
92	E	97.1	Very high	94.3	Very high	20 Å²	20	73.2 Å²	73.2	9%	0.093	36%	0.357	C	S	.	.	H	α-helix	trans	-69.8	-43.2	177.7	-75.9	167.6	132.2	0	0	111.5	I80 K82 I88 T89 S95 W96	I80-E92 HydrophobicContact CG2-CB 4.1Å; K82-E92 PolarHBondContact N-OE1 2.75Å; I88-E92 HydrophobicContact CG2-CB 4.36Å; T89-E92 PolarHBondContact N-OE2 3.1Å; T89-E92 PolarHBondContact O-N 2.98Å; T89-E92 VanDerWaalsContact O-N 3.15Å; T89-E92 WeakPolarHBondContact OG1-CG 3.34Å; T89-E92 PolarHBondContact OG1-N 3.23Å; T89-E92 PolarHBondContact OG1-OE2 3.37Å; E92-S95 PolarHBondContact O-N 3.07Å; E92-W96 PolarHBondContact O-N 3.36Å
93	L	94.9	Very high	94.3	Very high	2 Å²	2	70 Å²	70	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-44.5	175.6	-175.7	61.6	0	0	0	111.2	F52 I80 I88 T89 E90 S95 W96 I97 T277 L280 F281 L292	F52-L93 HydrophobicContact CD2-CD1 4.1Å; F52-L93 HydrophobicContact CE2-CD1 3.78Å; I80-L93 HydrophobicContact CD1-CD1 4.25Å; I88-L93 HydrophobicContact CG2-CB 3.95Å; T89-L93 PolarHBondContact O-N 2.86Å; E90-L93 PolarHBondContact O-N 3.47Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 2.98Å; L93-W96 WeakPolarHBondContact O-CA 3.41Å; L93-W96 WeakPolarHBondContact O-CB 3.49Å; L93-W96 PolarHBondContact O-N 2.81Å; L93-I97 HydrophobicContact CD1-CD1 4.23Å; L93-I97 HydrophobicContact CD1-CG1 4.42Å; L93-I97 HydrophobicContact CD2-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 3.86Å; L93-I97 HydrophobicContact CG-CG1 4.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.26Å; L93-I97 PolarHBondContact O-N 3.47Å; L93-T277 HydrophobicContact CB-CG2 4.14Å; L93-T277 HydrophobicContact CD2-CG2 4.16Å; L93-T277 HydrophobicContact CG-CG2 4.19Å; L93-L280 HydrophobicContact CD2-CB 3.99Å; L93-L280 HydrophobicContact CD2-CD1 4.24Å; L93-F281 HydrophobicContact CB-CE2 3.81Å; L93-F281 HydrophobicContact CD2-CD2 3.6Å; L93-F281 HydrophobicContact CD2-CE2 3.48Å; L93-F281 VanDerWaalsContact CD2-CE2 3.48Å; L93-F281 HydrophobicContact CG-CE2 4.28Å; L93-L292 HydrophobicContact CD2-CD1 4.16Å
94	K	95.1	Very high	94.1	Very high	33 Å²	33	67.5 Å²	67.5	14%	0.143	33%	0.333	C	S	.	.	H	α-helix	trans	-55	-50.4	174.4	-171.8	175.5	-178.3	162.7	0	111.2	E90 W96 I97 E98 D271 I273 D274 T277	E90-K94 VanDerWaalsContact O-CB 3.25Å; E90-K94 WeakPolarHBondContact O-CB 3.21Å; E90-K94 PolarHBondContact O-N 3.05Å; K94-W96 PolarHBondContact O-N 2.86Å; K94-I97 PolarHBondContact O-N 3.15Å; K94-I97 VanDerWaalsContact O-N 3.17Å; K94-E98 WeakPolarHBondContact CE-OE1 3.28Å; K94-E98 HydrophobicContact CG-CG 4.5Å; K94-E98 WeakPolarHBondContact O-CG 3.08Å; K94-E98 PolarHBondContact O-N 3.29Å; K94-D271 WeakPolarHBondContact CE-OD2 3.45Å; K94-D271 IonicContact NZ-OD2 2.98Å; K94-D271 PolarHBondContact NZ-OD2 3.32Å; K94-I273 HydrophobicContact CG-CG2 4.02Å; K94-D274 IonicContact NZ-OD1 3.39Å; K94-D274 PolarHBondContact NZ-OD1 3.25Å; K94-T277 VanDerWaalsContact CA-OG1 3.32Å; K94-T277 WeakPolarHBondContact CA-OG1 3.5Å; K94-T277 HydrophobicContact CB-CG2 3.99Å
95	S	96.1	Very high	93.9	Very high	66 Å²	66	63.2 Å²	63.2	46%	0.462	31%	0.309	S	S	.	.	H	α-helix	trans	-59.6	-33.2	178.1	-60.2	0	0	0	0	112.6	L91 E92 L93 Y99	L91-S95 WeakPolarHBondContact O-CB 3.41Å; L91-S95 PolarHBondContact O-N 3.24Å; L91-S95 PolarHBondContact O-OG 2.81Å; E92-S95 PolarHBondContact O-N 3.07Å; L93-S95 VanDerWaalsContact C-N 3.33Å; L93-S95 PolarHBondContact O-N 2.98Å; S95-Y99 WeakPolarHBondContact O-CB 3.42Å; S95-Y99 PolarHBondContact O-N 3.26Å; S95-Y99 VanDerWaalsContact O-N 3.1Å
96	W	95.9	Very high	93.7	Very high	26 Å²	26	64.3 Å²	64.3	10%	0.098	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-48.3	175	171	-101.6	0	0	0	112.2	F52 I76 K79 I80 E92 L93 K94 E98 Y99 V100	F52-W96 AromaticContact CD2-CD1 3.94Å; F52-W96 AromaticContact CD2-NE1 3.87Å; F52-W96 AromaticContact CE2-CD1 3.82Å; F52-W96 AromaticContact CE2-NE1 3.77Å; F52-W96 PolarHBondContact O-NE1 2.88Å; I76-W96 HydrophobicContact CG1-CZ2 4.44Å; I76-W96 HydrophobicContact CG2-CH2 4.06Å; I76-W96 HydrophobicContact CG2-CZ2 3.48Å; I76-W96 VanDerWaalsContact CG2-CZ2 3.48Å; K79-W96 HydrophobicContact CB-CZ3 4.06Å; K79-W96 HydrophobicContact CD-CH2 4.41Å; K79-W96 HydrophobicContact CD-CZ3 4.34Å; I80-W96 HydrophobicContact CB-CB 4.47Å; I80-W96 HydrophobicContact CD1-CB 4.24Å; I80-W96 HydrophobicContact CD1-CD2 4.03Å; I80-W96 HydrophobicContact CD1-CG 3.7Å; I80-W96 HydrophobicContact CG1-CB 3.78Å; I80-W96 HydrophobicContact CG1-CD2 3.58Å; I80-W96 HydrophobicContact CG1-CE3 3.96Å; I80-W96 HydrophobicContact CG1-CG 3.48Å; I80-W96 VanDerWaalsContact CG1-CG 3.48Å; I80-W96 HydrophobicContact CG2-CB 4.15Å; E92-W96 PolarHBondContact O-N 3.36Å; L93-W96 WeakPolarHBondContact O-CA 3.41Å; L93-W96 WeakPolarHBondContact O-CB 3.49Å; L93-W96 PolarHBondContact O-N 2.81Å; K94-W96 PolarHBondContact O-N 2.86Å; W96-E98 VanDerWaalsContact C-N 3.33Å; W96-E98 PolarHBondContact O-N 3.22Å; W96-Y99 HydrophobicContact CE3-CD1 4.1Å; W96-Y99 HydrophobicContact CH2-CE1 4.48Å; W96-Y99 AromaticContact CZ3-CD1 3.97Å; W96-Y99 HydrophobicContact CZ3-CD1 3.97Å; W96-Y99 HydrophobicContact CZ3-CE1 4.09Å; W96-Y99 WeakPolarHBondContact O-CB 3.39Å; W96-Y99 PolarHBondContact O-N 2.94Å; W96-Y99 VanDerWaalsContact O-N 3.13Å; W96-V100 HydrophobicContact CD2-CG2 4.03Å; W96-V100 VanDerWaalsContact CE2-CG2 3.49Å; W96-V100 HydrophobicContact CG-CG2 4.48Å; W96-V100 HydrophobicContact CH2-CG2 4.24Å; W96-V100 HydrophobicContact CZ2-CG2 3.61Å; W96-V100 WeakPolarHBondContact O-CG2 3.33Å; W96-V100 PolarHBondContact O-N 2.64Å
97	I	92.7	Very high	93.7	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-41.5	179.3	-61.9	160.6	0	0	0	109.9	L93 K94 Y99 V100 A101 I273 E276 T277 L280	L93-I97 HydrophobicContact CD1-CD1 4.23Å; L93-I97 HydrophobicContact CD1-CG1 4.42Å; L93-I97 HydrophobicContact CD2-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 3.86Å; L93-I97 HydrophobicContact CG-CG1 4.49Å; L93-I97 WeakPolarHBondContact O-CG1 3.26Å; L93-I97 PolarHBondContact O-N 3.47Å; K94-I97 PolarHBondContact O-N 3.15Å; K94-I97 VanDerWaalsContact O-N 3.17Å; I97-Y99 VanDerWaalsContact C-N 3.32Å; I97-Y99 PolarHBondContact O-N 2.88Å; I97-V100 PolarHBondContact O-N 2.8Å; I97-A101 WeakPolarHBondContact O-CB 3.37Å; I97-A101 PolarHBondContact O-N 2.87Å; I97-I273 HydrophobicContact CB-CG2 3.83Å; I97-I273 HydrophobicContact CG2-CD1 3.9Å; I97-I273 HydrophobicContact CG2-CG2 3.69Å; I97-E276 HydrophobicContact CD1-CG 4.1Å; I97-E276 HydrophobicContact CG2-CG 4.35Å; I97-T277 WeakPolarHBondContact CD1-OG1 3.48Å; I97-L280 HydrophobicContact CD1-CD1 3.79Å
98	E	94.3	Very high	93.3	Very high	91 Å²	91	53.9 Å²	53.9	43%	0.425	27%	0.271	S	S	.	.	H	α-helix	trans	-57.6	-44.7	172.6	-72.7	-179.7	-176.7	0	0	111.8	K94 W96 K102 I273	K94-E98 WeakPolarHBondContact CE-OE1 3.28Å; K94-E98 HydrophobicContact CG-CG 4.5Å; K94-E98 WeakPolarHBondContact O-CG 3.08Å; K94-E98 PolarHBondContact O-N 3.29Å; W96-E98 VanDerWaalsContact C-N 3.33Å; W96-E98 PolarHBondContact O-N 3.22Å; E98-K102 VanDerWaalsContact O-CB 3.29Å; E98-K102 WeakPolarHBondContact O-CB 3.37Å; E98-K102 PolarHBondContact O-N 3.48Å; E98-I273 HydrophobicContact CB-CG2 4.39Å; E98-I273 HydrophobicContact CG-CB 4.16Å; E98-I273 HydrophobicContact CG-CG1 4.21Å; E98-I273 HydrophobicContact CG-CG2 3.49Å; E98-I273 VanDerWaalsContact CG-CG2 3.49Å
99	Y	95.3	Very high	93.1	Very high	134 Å²	134	54 Å²	54	53%	0.525	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-45.5	176.9	166.4	-98.2	0	0	0	111.8	S95 W96 I97 K103	S95-Y99 WeakPolarHBondContact O-CB 3.42Å; S95-Y99 PolarHBondContact O-N 3.26Å; S95-Y99 VanDerWaalsContact O-N 3.1Å; W96-Y99 HydrophobicContact CE3-CD1 4.1Å; W96-Y99 HydrophobicContact CH2-CE1 4.48Å; W96-Y99 AromaticContact CZ3-CD1 3.97Å; W96-Y99 HydrophobicContact CZ3-CD1 3.97Å; W96-Y99 HydrophobicContact CZ3-CE1 4.09Å; W96-Y99 WeakPolarHBondContact O-CB 3.39Å; W96-Y99 PolarHBondContact O-N 2.94Å; W96-Y99 VanDerWaalsContact O-N 3.13Å; I97-Y99 VanDerWaalsContact C-N 3.32Å; I97-Y99 PolarHBondContact O-N 2.88Å; Y99-K103 WeakPolarHBondContact O-CB 3.48Å; Y99-K103 PolarHBondContact O-N 3.36Å
100	V	93.6	Very high	93.1	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-46.1	179.4	167.7	0	0	0	0	111.2	A51 L53 W96 I97 K103 S104	A51-V100 WeakPolarHBondContact O-CG1 3.31Å; L53-V100 VanDerWaalsContact C-CG1 3.41Å; W96-V100 HydrophobicContact CD2-CG2 4.03Å; W96-V100 VanDerWaalsContact CE2-CG2 3.49Å; W96-V100 HydrophobicContact CG-CG2 4.48Å; W96-V100 HydrophobicContact CH2-CG2 4.24Å; W96-V100 HydrophobicContact CZ2-CG2 3.61Å; W96-V100 WeakPolarHBondContact O-CG2 3.33Å; W96-V100 PolarHBondContact O-N 2.64Å; I97-V100 PolarHBondContact O-N 2.8Å; V100-K103 PolarHBondContact O-N 2.9Å; V100-S104 VanDerWaalsContact O-CB 3.29Å; V100-S104 WeakPolarHBondContact O-CB 3.41Å; V100-S104 PolarHBondContact O-N 3.49Å; V100-S104 PolarHBondContact O-OG 2.88Å
101	A	89.3	Confident	93	Very high	43 Å²	43	54.5 Å²	54.5	36%	0.355	27%	0.268	S	S	.	.	H	α-helix	trans	-59.4	-50.3	177.2	0	0	0	0	0	110.9	I97 K103 S104 K105 I273	I97-A101 WeakPolarHBondContact O-CB 3.37Å; I97-A101 PolarHBondContact O-N 2.87Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; A101-S104 PolarHBondContact O-N 3.11Å; A101-K105 WeakPolarHBondContact O-CB 3.48Å; A101-K105 PolarHBondContact O-N 2.84Å; A101-I273 HydrophobicContact CB-CD1 3.86Å
102	K	92.3	Very high	92.8	Very high	157 Å²	157	50 Å²	50	68%	0.683	24%	0.243	S	C	*	.	H	α-helix	trans	-58.7	-44.1	176.4	-177.6	177.8	-177.9	175	0	112.1	E98 Q106	E98-K102 VanDerWaalsContact O-CB 3.29Å; E98-K102 WeakPolarHBondContact O-CB 3.37Å; E98-K102 PolarHBondContact O-N 3.48Å; K102-Q106 WeakPolarHBondContact O-CB 3Å; K102-Q106 PolarHBondContact O-N 3.14Å
103	K	93.2	Very high	92.7	Very high	77 Å²	77	49.5 Å²	49.5	34%	0.335	24%	0.24	S	C	.	.	H	α-helix	trans	-67.6	-41.8	-179.1	-176.3	58.7	178.7	151.2	0	111.6	Y99 V100 A101 Q106 N107	Y99-K103 WeakPolarHBondContact O-CB 3.48Å; Y99-K103 PolarHBondContact O-N 3.36Å; V100-K103 PolarHBondContact O-N 2.9Å; A101-K103 VanDerWaalsContact C-N 3.33Å; A101-K103 PolarHBondContact O-N 3.4Å; K103-Q106 PolarHBondContact O-N 2.7Å; K103-N107 VanDerWaalsContact CE-OD1 3.24Å; K103-N107 WeakPolarHBondContact CE-OD1 3.28Å; K103-N107 PolarHBondContact NZ-OD1 3.15Å; K103-N107 WeakPolarHBondContact O-CB 3.34Å; K103-N107 VanDerWaalsContact O-CG 3.27Å; K103-N107 PolarHBondContact O-N 3.07Å; K103-N107 PolarHBondContact O-OD1 3.25Å
104	S	88	Confident	92.7	Very high	38 Å²	38	53.5 Å²	53.5	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-44.5	178	-60.9	0	0	0	0	111.3	G54 V100 A101 N107 S108	G54-S104 VanDerWaalsContact CA-OG 3.26Å; G54-S104 WeakPolarHBondContact CA-OG 3.39Å; V100-S104 VanDerWaalsContact O-CB 3.29Å; V100-S104 WeakPolarHBondContact O-CB 3.41Å; V100-S104 PolarHBondContact O-N 3.49Å; V100-S104 PolarHBondContact O-OG 2.88Å; A101-S104 PolarHBondContact O-N 3.11Å; S104-N107 PolarHBondContact O-N 3.09Å; S104-S108 WeakPolarHBondContact O-CB 3.41Å; S104-S108 PolarHBondContact O-N 3.36Å
105	K	87.4	Confident	92.5	Very high	30 Å²	30	57.8 Å²	57.8	13%	0.13	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-48.8	173.7	-173.6	174.4	176.6	147.2	0	111.6	A101 N107 S108 T109 H182 D185	A101-K105 WeakPolarHBondContact O-CB 3.48Å; A101-K105 PolarHBondContact O-N 2.84Å; K105-N107 PolarHBondContact O-N 3.07Å; K105-S108 PolarHBondContact O-N 3.41Å; K105-T109 WeakPolarHBondContact O-CB 3.29Å; K105-T109 PolarHBondContact O-N 3.46Å; K105-T109 PolarHBondContact O-OG1 3.37Å; K105-H182 HydrophobicContact CD-CB 4.19Å; K105-H182 VanDerWaalsContact CE-CG 3.44Å; K105-H182 HydrophobicContact CG-CB 4.42Å; K105-H182 VanDerWaalsContact CG-CD2 3.47Å; K105-H182 WeakPolarHBondContact CG-CD2 3.36Å; K105-H182 PolarHBondContact NZ-O 3.34Å; K105-H182 PolarHBondContact O-NE2 2.9Å; K105-D185 WeakPolarHBondContact CD-OD2 3.32Å; K105-D185 VanDerWaalsContact NZ-CB 3.3Å; K105-D185 VanDerWaalsContact NZ-CG 3.32Å; K105-D185 IonicContact NZ-OD2 3.03Å; K105-D185 PolarHBondContact NZ-OD2 3.37Å
106	Q	92	Very high	92.3	Very high	96 Å²	96	55.3 Å²	55.3	45%	0.449	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-47.7	177.5	-175.7	179.9	7.7	0	0	111.7	K102 K103 S108 T109 D110	K102-Q106 WeakPolarHBondContact O-CB 3Å; K102-Q106 PolarHBondContact O-N 3.14Å; K103-Q106 PolarHBondContact O-N 2.7Å; Q106-S108 VanDerWaalsContact C-N 3.33Å; Q106-S108 PolarHBondContact O-N 3.27Å; Q106-T109 PolarHBondContact O-N 3.18Å; Q106-D110 VanDerWaalsContact O-CB 3.28Å; Q106-D110 WeakPolarHBondContact O-CB 3.41Å; Q106-D110 PolarHBondContact O-N 2.72Å
107	N	91.5	Very high	92.3	Very high	33 Å²	33	54.2 Å²	54.2	18%	0.176	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-41.2	178.6	-73.2	3.7	0	0	0	111.4	E56 K103 S104 K105 D110 R111	E56-N107 PolarHBondContact OE2-ND2 3.32Å; K103-N107 VanDerWaalsContact CE-OD1 3.24Å; K103-N107 WeakPolarHBondContact CE-OD1 3.28Å; K103-N107 PolarHBondContact NZ-OD1 3.15Å; K103-N107 WeakPolarHBondContact O-CB 3.34Å; K103-N107 VanDerWaalsContact O-CG 3.27Å; K103-N107 PolarHBondContact O-N 3.07Å; K103-N107 PolarHBondContact O-OD1 3.25Å; S104-N107 PolarHBondContact O-N 3.09Å; K105-N107 PolarHBondContact O-N 3.07Å; N107-D110 PolarHBondContact O-N 2.95Å; N107-R111 WeakPolarHBondContact O-CB 3.29Å; N107-R111 WeakPolarHBondContact O-CG 3.36Å; N107-R111 PolarHBondContact O-N 3.26Å
108	S	87.9	Confident	92.3	Very high	22 Å²	22	57.7 Å²	57.7	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-47.6	176	-173.8	0	0	0	0	111.8	S104 K105 Q106 R111 Q112	S104-S108 WeakPolarHBondContact O-CB 3.41Å; S104-S108 PolarHBondContact O-N 3.36Å; K105-S108 PolarHBondContact O-N 3.41Å; Q106-S108 VanDerWaalsContact C-N 3.33Å; Q106-S108 PolarHBondContact O-N 3.27Å; S108-R111 PolarHBondContact O-N 3Å; S108-Q112 WeakPolarHBondContact O-CG 3.44Å; S108-Q112 PolarHBondContact O-N 2.82Å; S108-Q112 VanDerWaalsContact O-N 3.08Å; S108-Q112 PolarHBondContact OG-NE2 2.8Å
109	T	92.4	Very high	92.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-60	-48	174.9	-60.1	0	0	0	0	110.7	K105 Q106 R111 Q112 W113 F177 T178 V181 H182	K105-T109 WeakPolarHBondContact O-CB 3.29Å; K105-T109 PolarHBondContact O-N 3.46Å; K105-T109 PolarHBondContact O-OG1 3.37Å; Q106-T109 PolarHBondContact O-N 3.18Å; T109-R111 PolarHBondContact O-N 3.17Å; T109-Q112 PolarHBondContact O-N 2.72Å; T109-W113 WeakPolarHBondContact O-CB 3.37Å; T109-W113 PolarHBondContact O-N 2.74Å; T109-F177 HydrophobicContact CG2-CD1 4.16Å; T109-T178 HydrophobicContact CG2-CG2 4.29Å; T109-T178 WeakPolarHBondContact CG2-OG1 3.42Å; T109-V181 HydrophobicContact CG2-CG2 4.37Å; T109-H182 PolarHBondContact OG1-CD2 3.05Å; T109-H182 PolarHBondContact OG1-NE2 2.82Å
110	D	94.7	Very high	92.2	Very high	37 Å²	37	56.9 Å²	56.9	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-43.8	-178.2	-76.1	-16.2	0	0	0	111.7	Q106 N107 N114 K174	Q106-D110 VanDerWaalsContact O-CB 3.28Å; Q106-D110 WeakPolarHBondContact O-CB 3.41Å; Q106-D110 PolarHBondContact O-N 2.72Å; N107-D110 PolarHBondContact O-N 2.95Å; D110-N114 WeakPolarHBondContact O-CB 3.33Å; D110-N114 PolarHBondContact O-N 2.63Å; D110-N114 PolarHBondContact O-ND2 3.13Å; D110-K174 WeakPolarHBondContact OD1-CE 3.33Å; D110-K174 IonicContact OD1-NZ 3.93Å; D110-K174 PolarHBondContact OD1-NZ 3.29Å
111	R	92.9	Very high	92.3	Very high	98 Å²	98	60 Å²	60	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-60	-54.8	175.5	-74.8	-175.4	-57.4	-173.5	8.5	111	E55 E56 N107 S108 T109 W113 N114 D115	E55-R111 IonicContact OE2-NH2 3.36Å; E56-R111 WeakPolarHBondContact OE1-CD 3.39Å; E56-R111 IonicContact OE1-CZ 2.83Å; E56-R111 IonicContact OE1-NE 3.08Å; E56-R111 PolarHBondContact OE1-NE 3.12Å; E56-R111 IonicContact OE1-NH1 3.43Å; E56-R111 PolarHBondContact OE1-NH1 3.09Å; E56-R111 IonicContact OE1-NH2 2.65Å; N107-R111 WeakPolarHBondContact O-CB 3.29Å; N107-R111 WeakPolarHBondContact O-CG 3.36Å; N107-R111 PolarHBondContact O-N 3.26Å; S108-R111 PolarHBondContact O-N 3Å; T109-R111 PolarHBondContact O-N 3.17Å; R111-W113 VanDerWaalsContact C-N 3.33Å; R111-W113 PolarHBondContact O-N 3.31Å; R111-N114 PolarHBondContact O-N 3.39Å; R111-D115 VanDerWaalsContact O-CG 3.27Å; R111-D115 PolarHBondContact O-N 3.41Å
112	Q	92.1	Very high	92.6	Very high	36 Å²	36	63 Å²	63	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-62.9	-40	-178.1	-68.1	-177.5	65.1	0	0	112.4	S108 T109 D115 I116 F177	S108-Q112 WeakPolarHBondContact O-CG 3.44Å; S108-Q112 PolarHBondContact O-N 2.82Å; S108-Q112 VanDerWaalsContact O-N 3.08Å; S108-Q112 PolarHBondContact OG-NE2 2.8Å; T109-Q112 PolarHBondContact O-N 2.72Å; Q112-D115 PolarHBondContact O-N 2.89Å; Q112-I116 WeakPolarHBondContact O-CB 3.48Å; Q112-I116 VanDerWaalsContact O-CG1 3.31Å; Q112-I116 WeakPolarHBondContact O-CG1 3.36Å; Q112-I116 PolarHBondContact O-N 2.99Å; Q112-I116 VanDerWaalsContact O-N 3.08Å; Q112-F177 HydrophobicContact CB-CE1 3.88Å; Q112-F177 HydrophobicContact CB-CZ 3.97Å
113	W	95.3	Very high	92.9	Very high	8 Å²	8	57.4 Å²	57.4	3%	0.03	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-49.3	174.9	177.3	-90.2	0	0	0	110.7	T109 R111 D115 I116 N117 I124 K174 F177	T109-W113 WeakPolarHBondContact O-CB 3.37Å; T109-W113 PolarHBondContact O-N 2.74Å; R111-W113 VanDerWaalsContact C-N 3.33Å; R111-W113 PolarHBondContact O-N 3.31Å; W113-D115 PolarHBondContact O-N 3.17Å; W113-I116 PolarHBondContact O-N 3.41Å; W113-N117 WeakPolarHBondContact CZ2-ND2 3.05Å; W113-N117 PolarHBondContact NE1-ND2 3.35Å; W113-N117 WeakPolarHBondContact O-CA 3.37Å; W113-N117 WeakPolarHBondContact O-CB 3.34Å; W113-N117 PolarHBondContact O-N 2.8Å; W113-I124 HydrophobicContact CD2-CD1 4.15Å; W113-I124 HydrophobicContact CE3-CD1 3.59Å; W113-I124 HydrophobicContact CE3-CG1 4.3Å; W113-I124 HydrophobicContact CH2-CD1 4.21Å; W113-I124 HydrophobicContact CH2-CG1 4.01Å; W113-I124 HydrophobicContact CZ3-CD1 3.62Å; W113-I124 HydrophobicContact CZ3-CG1 3.87Å; W113-K174 HydrophobicContact CD2-CB 4.32Å; W113-K174 HydrophobicContact CD2-CD 4.48Å; W113-K174 HydrophobicContact CD2-CG 4.13Å; W113-K174 HydrophobicContact CE3-CB 4.26Å; W113-K174 HydrophobicContact CE3-CG 4.29Å; W113-K174 HydrophobicContact CG-CG 4.5Å; W113-K174 HydrophobicContact CH2-CB 4.09Å; W113-K174 HydrophobicContact CZ2-CB 4.14Å; W113-K174 HydrophobicContact CZ3-CB 4.15Å; W113-F177 HydrophobicContact CB-CD1 4.17Å; W113-F177 HydrophobicContact CB-CE1 4.05Å; W113-F177 HydrophobicContact CE3-CB 3.63Å; W113-F177 AromaticContact CE3-CD1 3.68Å; W113-F177 HydrophobicContact CE3-CD1 3.68Å; W113-F177 HydrophobicContact CE3-CD2 4.28Å; W113-F177 HydrophobicContact CE3-CE1 4.41Å; W113-F177 AromaticContact CE3-CG 3.59Å; W113-F177 HydrophobicContact CE3-CG 3.59Å; W113-F177 HydrophobicContact CZ3-CB 3.63Å; W113-F177 HydrophobicContact CZ3-CG 4.01Å
114	N	94.6	Very high	93.1	Very high	87 Å²	87	53.7 Å²	53.7	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-67.3	-36.7	-178.4	-67.6	-28.1	0	0	0	112.7	D110 R111 N117	D110-N114 WeakPolarHBondContact O-CB 3.33Å; D110-N114 PolarHBondContact O-N 2.63Å; D110-N114 PolarHBondContact O-ND2 3.13Å; R111-N114 PolarHBondContact O-N 3.39Å; N114-N117 CarbonylContact O-C 3.28Å
115	D	91.8	Very high	93.6	Very high	123 Å²	123	57.3 Å²	57.3	66%	0.658	30%	0.301	S	S	*	.	H	α-helix	trans	-66.1	-40.4	178.5	-71.4	-16.7	0	0	0	111.7	R111 Q112 W113	R111-D115 VanDerWaalsContact O-CG 3.27Å; R111-D115 PolarHBondContact O-N 3.41Å; Q112-D115 PolarHBondContact O-N 2.89Å; W113-D115 PolarHBondContact O-N 3.17Å
116	I	92.2	Very high	94.1	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-83.7	-30.4	-179.4	-60.6	175.6	0	0	0	111.3	Q112 W113 P118 I124 Y129 R132 F177	Q112-I116 WeakPolarHBondContact O-CB 3.48Å; Q112-I116 VanDerWaalsContact O-CG1 3.31Å; Q112-I116 WeakPolarHBondContact O-CG1 3.36Å; Q112-I116 PolarHBondContact O-N 2.99Å; Q112-I116 VanDerWaalsContact O-N 3.08Å; W113-I116 PolarHBondContact O-N 3.41Å; I116-P118 WeakPolarHBondContact O-CD 3.2Å; I116-I124 HydrophobicContact CB-CD1 4.25Å; I116-I124 HydrophobicContact CG2-CD1 3.93Å; I116-I124 HydrophobicContact CG2-CG2 3.92Å; I116-Y129 HydrophobicContact CD1-CD2 3.82Å; I116-Y129 HydrophobicContact CD1-CE2 3.79Å; I116-Y129 HydrophobicContact CG2-CD2 4.21Å; I116-R132 HydrophobicContact CG2-CB 4.1Å; I116-R132 HydrophobicContact CG2-CG 4.32Å; I116-F177 HydrophobicContact CD1-CE2 4.05Å; I116-F177 HydrophobicContact CD1-CZ 3.87Å
117	N	95.3	Very high	94.2	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.011	31%	0.307	C	S	.	.			trans	-116.4	62.9	-177.6	-170	6.2	0	0	0	113.1	W113 N114 T119 N120 Q121 I124	W113-N117 WeakPolarHBondContact CZ2-ND2 3.05Å; W113-N117 PolarHBondContact NE1-ND2 3.35Å; W113-N117 WeakPolarHBondContact O-CA 3.37Å; W113-N117 WeakPolarHBondContact O-CB 3.34Å; W113-N117 PolarHBondContact O-N 2.8Å; N114-N117 CarbonylContact O-C 3.28Å; N117-T119 PolarHBondContact O-N 3.49Å; N117-T119 VanDerWaalsContact O-N 3.15Å; N117-N120 PolarHBondContact O-N 3.46Å; N117-N120 PolarHBondContact OD1-N 3.37Å; N117-Q121 PolarHBondContact ND2-N 3Å; N117-Q121 PolarHBondContact ND2-O 3.34Å; N117-Q121 PolarHBondContact OD1-N 2.99Å; N117-I124 HydrophobicContact CB-CD1 3.77Å; N117-I124 HydrophobicContact CB-CG1 3.79Å
118	P	93	Very high	94.4	Very high	75 Å²	75	57.4 Å²	57.4	49%	0.487	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.7	-178.3	28.8	-36.2	0	0	0	113.2	I116 N120 R132	I116-P118 WeakPolarHBondContact O-CD 3.2Å; P118-N120 VanDerWaalsContact C-N 3.27Å; P118-R132 VanDerWaalsContact CG-NH2 3.31Å
119	T	92.3	Very high	94.8	Very high	85 Å²	85	56.5 Å²	56.5	52%	0.521	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.3	175.1	60.6	0	0	0	0	112.9	N117 Q121	N117-T119 PolarHBondContact O-N 3.49Å; N117-T119 VanDerWaalsContact O-N 3.15Å; T119-Q121 PolarHBondContact O-N 2.86Å; T119-Q121 WeakPolarHBondContact OG1-CG 3.47Å; T119-Q121 PolarHBondContact OG1-NE2 3.36Å
120	N	94.2	Very high	94.9	Very high	123 Å²	123	57.6 Å²	57.6	66%	0.658	31%	0.306	S	S	*	.			trans	51	43.9	-179.8	-165.6	43.3	0	0	0	112.6	N117 P118	N117-N120 PolarHBondContact O-N 3.46Å; N117-N120 PolarHBondContact OD1-N 3.37Å; P118-N120 VanDerWaalsContact C-N 3.27Å
121	Q	95.5	Very high	94.9	Very high	72 Å²	72	60.8 Å²	60.8	34%	0.336	32%	0.321	S	S	.	.			trans	-66.4	155	171.1	-73.3	175.8	49.9	0	0	110.2	N117 T119 V123	N117-Q121 PolarHBondContact ND2-N 3Å; N117-Q121 PolarHBondContact ND2-O 3.34Å; N117-Q121 PolarHBondContact OD1-N 2.99Å; T119-Q121 PolarHBondContact O-N 2.86Å; T119-Q121 WeakPolarHBondContact OG1-CG 3.47Å; T119-Q121 PolarHBondContact OG1-NE2 3.36Å; Q121-V123 WeakPolarHBondContact CB-O 3.42Å; Q121-V123 PolarHBondContact O-N 2.87Å
122	P	96.9	Very high	94.9	Very high	108 Å²	108	62.4 Å²	62.4	70%	0.701	33%	0.327	S	S	*	.	S	Bend	trans	-65.5	-24	176.8	26.9	-34.9	0	0	0	113.2
123	V	97.9	Very high	95	Very high	38 Å²	38	62 Å²	62	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.9	-178.7	-59.4	0	0	0	0	110.5	Q121 L172 N173	Q121-V123 WeakPolarHBondContact CB-O 3.42Å; Q121-V123 PolarHBondContact O-N 2.87Å; V123-L172 CarbonylContact C-O 3.45Å; V123-L172 VanDerWaalsContact CA-O 3.3Å; V123-L172 WeakPolarHBondContact CA-O 3.4Å; V123-N173 HydrophobicContact CG1-CB 4.02Å
124	I	97.9	Very high	94.9	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.5	172.2	-57.5	171.6	0	0	0	107.8	W113 I116 N117 E128 W161 S171 L172 F177	W113-I124 HydrophobicContact CD2-CD1 4.15Å; W113-I124 HydrophobicContact CE3-CD1 3.59Å; W113-I124 HydrophobicContact CE3-CG1 4.3Å; W113-I124 HydrophobicContact CH2-CD1 4.21Å; W113-I124 HydrophobicContact CH2-CG1 4.01Å; W113-I124 HydrophobicContact CZ3-CD1 3.62Å; W113-I124 HydrophobicContact CZ3-CG1 3.87Å; I116-I124 HydrophobicContact CB-CD1 4.25Å; I116-I124 HydrophobicContact CG2-CD1 3.93Å; I116-I124 HydrophobicContact CG2-CG2 3.92Å; N117-I124 HydrophobicContact CB-CD1 3.77Å; N117-I124 HydrophobicContact CB-CG1 3.79Å; I124-E128 HydrophobicContact CG2-CB 4.41Å; I124-E128 HydrophobicContact CG2-CG 4.49Å; I124-W161 HydrophobicContact CB-CH2 4.4Å; I124-W161 HydrophobicContact CG2-CH2 4.19Å; I124-W161 VanDerWaalsContact O-CH2 3.3Å; I124-W161 WeakPolarHBondContact O-CH2 3.35Å; I124-W161 VanDerWaalsContact O-CZ2 3.27Å; I124-W161 WeakPolarHBondContact O-CZ2 3.31Å; I124-S171 CarbonylContact O-C 3.59Å; I124-S171 WeakPolarHBondContact O-CA 3.41Å; I124-S171 WeakPolarHBondContact O-CB 3.47Å; I124-L172 PolarHBondContact N-O 3.31Å; I124-L172 PolarHBondContact O-N 2.89Å; I124-F177 HydrophobicContact CD1-CD2 4.23Å; I124-F177 HydrophobicContact CD1-CE2 4.31Å
125	K	97.6	Very high	94.8	Very high	114 Å²	114	60.4 Å²	60.4	50%	0.496	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	150.5	175.5	-65.2	-176.1	178.1	-174.6	0	111.2	T127 E128 Y129	K125-T127 VanDerWaalsContact C-N 3.25Å; K125-T127 PolarHBondContact O-N 2.81Å; K125-E128 HydrophobicContact CB-CB 4.49Å; K125-E128 WeakPolarHBondContact O-CB 3.46Å; K125-E128 PolarHBondContact O-N 2.93Å; K125-Y129 PolarHBondContact O-N 3.31Å
126	W	97.6	Very high	94.9	Very high	25 Å²	25	56.6 Å²	56.6	10%	0.095	30%	0.303	C	S	.	.	H	α-helix	trans	-51.8	-43.1	177.1	174.4	-118.6	0	0	0	113.4	E128 Y129 L130 V154 D157 R158 W161 D170	W126-E128 VanDerWaalsContact C-N 3.34Å; W126-E128 PolarHBondContact O-N 3.37Å; W126-Y129 AromaticContact CE3-CD1 3.82Å; W126-Y129 HydrophobicContact CE3-CD1 3.82Å; W126-Y129 HydrophobicContact CH2-CD1 4.31Å; W126-Y129 HydrophobicContact CH2-CE1 4.37Å; W126-Y129 AromaticContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CD1 3.54Å; W126-Y129 AromaticContact CZ3-CE1 3.82Å; W126-Y129 HydrophobicContact CZ3-CE1 3.82Å; W126-Y129 WeakPolarHBondContact O-CB 3.43Å; W126-Y129 PolarHBondContact O-N 3.27Å; W126-L130 HydrophobicContact CD2-CD1 4.29Å; W126-L130 HydrophobicContact CD2-CG 4.11Å; W126-L130 HydrophobicContact CH2-CD2 3.78Å; W126-L130 HydrophobicContact CH2-CG 4.27Å; W126-L130 HydrophobicContact CZ2-CD1 3.8Å; W126-L130 HydrophobicContact CZ2-CD2 3.59Å; W126-L130 HydrophobicContact CZ2-CG 3.8Å; W126-L130 HydrophobicContact CZ3-CD2 4.39Å; W126-L130 WeakPolarHBondContact O-CG 3.5Å; W126-L130 PolarHBondContact O-N 2.82Å; W126-V154 HydrophobicContact CZ2-CG1 4.04Å; W126-D157 HydrophobicContact CH2-CB 3.84Å; W126-D157 HydrophobicContact CZ3-CB 4.18Å; W126-R158 HydrophobicContact CH2-CB 3.83Å; W126-R158 HydrophobicContact CZ2-CB 3.74Å; W126-R158 HydrophobicContact CZ2-CG 4.26Å; W126-W161 HydrophobicContact CB-CZ2 4.02Å; W126-W161 HydrophobicContact CD2-CD2 4.4Å; W126-W161 HydrophobicContact CD2-CG 4.48Å; W126-W161 HydrophobicContact CE3-CB 4.04Å; W126-W161 AromaticContact CE3-CD2 3.41Å; W126-W161 HydrophobicContact CE3-CD2 3.41Å; W126-W161 VanDerWaalsContact CE3-CD2 3.41Å; W126-W161 AromaticContact CE3-CE2 3.95Å; W126-W161 AromaticContact CE3-CE3 3.52Å; W126-W161 HydrophobicContact CE3-CE3 3.52Å; W126-W161 AromaticContact CE3-CG 3.65Å; W126-W161 HydrophobicContact CE3-CG 3.65Å; W126-W161 HydrophobicContact CE3-CZ2 4.49Å; W126-W161 HydrophobicContact CE3-CZ3 4.14Å; W126-W161 HydrophobicContact CZ3-CB 3.9Å; W126-W161 AromaticContact CZ3-CD2 3.97Å; W126-W161 HydrophobicContact CZ3-CD2 3.97Å; W126-W161 AromaticContact CZ3-CE3 3.83Å; W126-W161 HydrophobicContact CZ3-CE3 3.83Å; W126-W161 HydrophobicContact CZ3-CG 4.02Å; W126-W161 VanDerWaalsContact N-CZ2 3.27Å; W126-D170 PolarHBondContact N-O 2.78Å; W126-D170 VanDerWaalsContact N-O 3.15Å
127	T	95.3	Very high	94.9	Very high	99 Å²	99	60.7 Å²	60.7	61%	0.607	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-33.6	178.7	51.4	0	0	0	0	113.2	K125 M131	K125-T127 VanDerWaalsContact C-N 3.25Å; K125-T127 PolarHBondContact O-N 2.81Å; T127-M131 WeakPolarHBondContact O-CB 3.27Å; T127-M131 PolarHBondContact O-N 3.02Å; T127-M131 VanDerWaalsContact O-N 3.14Å
128	E	94.6	Very high	94.8	Very high	36 Å²	36	66.6 Å²	66.6	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-71.3	-42.9	174.6	-178.4	167.1	-165.7	0	0	110.8	I124 K125 W126 M131 R132	I124-E128 HydrophobicContact CG2-CB 4.41Å; I124-E128 HydrophobicContact CG2-CG 4.49Å; K125-E128 HydrophobicContact CB-CB 4.49Å; K125-E128 WeakPolarHBondContact O-CB 3.46Å; K125-E128 PolarHBondContact O-N 2.93Å; W126-E128 VanDerWaalsContact C-N 3.34Å; W126-E128 PolarHBondContact O-N 3.37Å; E128-M131 PolarHBondContact O-N 3.38Å; E128-R132 HydrophobicContact CG-CG 4.31Å; E128-R132 WeakPolarHBondContact O-CB 3.38Å; E128-R132 WeakPolarHBondContact O-CG 3.42Å; E128-R132 PolarHBondContact O-N 3.48Å
129	Y	96	Very high	94.8	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-55.7	-52.1	173.4	171.6	-98.2	0	0	0	111.6	I116 K125 W126 M131 R132 T133 Y134 D157 W161 F180	I116-Y129 HydrophobicContact CD1-CD2 3.82Å; I116-Y129 HydrophobicContact CD1-CE2 3.79Å; I116-Y129 HydrophobicContact CG2-CD2 4.21Å; K125-Y129 PolarHBondContact O-N 3.31Å; W126-Y129 AromaticContact CE3-CD1 3.82Å; W126-Y129 HydrophobicContact CE3-CD1 3.82Å; W126-Y129 HydrophobicContact CH2-CD1 4.31Å; W126-Y129 HydrophobicContact CH2-CE1 4.37Å; W126-Y129 AromaticContact CZ3-CD1 3.54Å; W126-Y129 HydrophobicContact CZ3-CD1 3.54Å; W126-Y129 AromaticContact CZ3-CE1 3.82Å; W126-Y129 HydrophobicContact CZ3-CE1 3.82Å; W126-Y129 WeakPolarHBondContact O-CB 3.43Å; W126-Y129 PolarHBondContact O-N 3.27Å; Y129-M131 PolarHBondContact O-N 3.3Å; Y129-R132 PolarHBondContact O-N 3Å; Y129-T133 VanDerWaalsContact CE2-OG1 3.25Å; Y129-T133 WeakPolarHBondContact CE2-OG1 3.39Å; Y129-T133 WeakPolarHBondContact O-CB 3.42Å; Y129-T133 PolarHBondContact O-N 3.01Å; Y129-T133 PolarHBondContact O-OG1 2.95Å; Y129-T133 VanDerWaalsContact O-OG1 3.08Å; Y129-Y134 HydrophobicContact CE1-CE2 4.22Å; Y129-D157 HydrophobicContact CE1-CB 4.1Å; Y129-D157 VanDerWaalsContact CE1-OD2 3.3Å; Y129-D157 WeakPolarHBondContact CE1-OD2 3.29Å; Y129-D157 PolarHBondContact OH-OD2 2.82Å; Y129-W161 HydrophobicContact CD1-CE3 4.35Å; Y129-W161 HydrophobicContact CD1-CZ3 4.15Å; Y129-W161 HydrophobicContact CD2-CZ3 4.03Å; Y129-W161 HydrophobicContact CG-CE3 4.28Å; Y129-W161 HydrophobicContact CG-CH2 4.39Å; Y129-W161 AromaticContact CG-CZ3 3.64Å; Y129-W161 HydrophobicContact CG-CZ3 3.64Å; Y129-F180 HydrophobicContact CD2-CE1 4.46Å; Y129-F180 HydrophobicContact CE1-CZ 4.1Å; Y129-F180 AromaticContact CE2-CE1 3.67Å; Y129-F180 HydrophobicContact CE2-CE1 3.67Å; Y129-F180 HydrophobicContact CE2-CZ 4.01Å; Y129-F180 AromaticContact CZ-CE1 3.74Å; Y129-F180 AromaticContact CZ-CZ 3.59Å; Y129-F180 WeakPolarHBondContact OH-CZ 3.33Å
130	L	95.3	Very high	94.8	Very high	26 Å²	26	68.5 Å²	68.5	14%	0.136	34%	0.343	C	S	.	.	H	α-helix	trans	-58.7	-47.1	179.6	-74.7	-177.3	0	0	0	112.2	W126 R132 T133 Y134 G135 V154	W126-L130 HydrophobicContact CD2-CD1 4.29Å; W126-L130 HydrophobicContact CD2-CG 4.11Å; W126-L130 HydrophobicContact CH2-CD2 3.78Å; W126-L130 HydrophobicContact CH2-CG 4.27Å; W126-L130 HydrophobicContact CZ2-CD1 3.8Å; W126-L130 HydrophobicContact CZ2-CD2 3.59Å; W126-L130 HydrophobicContact CZ2-CG 3.8Å; W126-L130 HydrophobicContact CZ3-CD2 4.39Å; W126-L130 WeakPolarHBondContact O-CG 3.5Å; W126-L130 PolarHBondContact O-N 2.82Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 PolarHBondContact O-N 3.42Å; L130-T133 PolarHBondContact O-N 2.65Å; L130-Y134 HydrophobicContact CD2-CD2 3.77Å; L130-Y134 HydrophobicContact CD2-CE2 4.02Å; L130-Y134 WeakPolarHBondContact O-CB 3.5Å; L130-Y134 PolarHBondContact O-N 2.91Å; L130-G135 PolarHBondContact O-N 3.49Å; L130-V154 HydrophobicContact CD2-CG1 4.05Å; L130-V154 HydrophobicContact CD2-CG2 3.9Å
131	M	94.2	Very high	94.7	Very high	103 Å²	103	66.1 Å²	66.1	51%	0.507	33%	0.33	S	S	.	.	H	α-helix	trans	-61.4	-38.4	179.2	-177.1	60.7	67.6	0	0	111.9	T127 E128 Y129 G135 P136	T127-M131 WeakPolarHBondContact O-CB 3.27Å; T127-M131 PolarHBondContact O-N 3.02Å; T127-M131 VanDerWaalsContact O-N 3.14Å; E128-M131 PolarHBondContact O-N 3.38Å; Y129-M131 PolarHBondContact O-N 3.3Å; M131-G135 VanDerWaalsContact O-CA 3.22Å; M131-G135 WeakPolarHBondContact O-CA 3.36Å; M131-G135 PolarHBondContact O-N 3.44Å; M131-G135 VanDerWaalsContact O-N 3.13Å; M131-P136 HydrophobicContact CE-CB 4.48Å; M131-P136 HydrophobicContact CE-CG 4.46Å; M131-P136 HydrophobicContact SD-CG 4.01Å
132	R	93.8	Very high	94.6	Very high	133 Å²	133	70.5 Å²	70.5	50%	0.502	35%	0.348	S	S	.	.	H	α-helix	trans	-75.1	-41.3	-179.8	-71.7	-73.8	-177.6	-173.4	-1.9	112.9	I116 P118 E128 Y129 L130	I116-R132 HydrophobicContact CG2-CB 4.1Å; I116-R132 HydrophobicContact CG2-CG 4.32Å; P118-R132 VanDerWaalsContact CG-NH2 3.31Å; E128-R132 HydrophobicContact CG-CG 4.31Å; E128-R132 WeakPolarHBondContact O-CB 3.38Å; E128-R132 WeakPolarHBondContact O-CG 3.42Å; E128-R132 PolarHBondContact O-N 3.48Å; Y129-R132 PolarHBondContact O-N 3Å; L130-R132 VanDerWaalsContact C-N 3.28Å; L130-R132 PolarHBondContact O-N 3.42Å
133	T	93.3	Very high	94.3	Very high	28 Å²	28	68.5 Å²	68.5	17%	0.172	33%	0.331	C	S	.	.	H	α-helix	trans	-81.4	-41.8	-174.6	-59.3	0	0	0	0	111.9	Y129 L130	Y129-T133 VanDerWaalsContact CE2-OG1 3.25Å; Y129-T133 WeakPolarHBondContact CE2-OG1 3.39Å; Y129-T133 WeakPolarHBondContact O-CB 3.42Å; Y129-T133 PolarHBondContact O-N 3.01Å; Y129-T133 PolarHBondContact O-OG1 2.95Å; Y129-T133 VanDerWaalsContact O-OG1 3.08Å; L130-T133 PolarHBondContact O-N 2.65Å
134	Y	92.8	Very high	93.9	Very high	40 Å²	40	73 Å²	73	16%	0.157	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-21.1	-171.1	-59.7	-71.4	0	0	0	114.1	Y129 L130 R140 Y150 A153 V154 D157	Y129-Y134 HydrophobicContact CE1-CE2 4.22Å; L130-Y134 HydrophobicContact CD2-CD2 3.77Å; L130-Y134 HydrophobicContact CD2-CE2 4.02Å; L130-Y134 WeakPolarHBondContact O-CB 3.5Å; L130-Y134 PolarHBondContact O-N 2.91Å; Y134-R140 WeakPolarHBondContact O-CD 3.18Å; Y134-Y150 HydrophobicContact CD1-CD2 4.07Å; Y134-Y150 HydrophobicContact CD1-CE2 4.29Å; Y134-Y150 HydrophobicContact CD2-CE2 4.39Å; Y134-Y150 HydrophobicContact CG-CD2 4.13Å; Y134-Y150 AromaticContact CG-CE2 3.87Å; Y134-Y150 HydrophobicContact CG-CE2 3.87Å; Y134-A153 HydrophobicContact CE1-CB 4.08Å; Y134-V154 HydrophobicContact CD2-CG2 4.1Å; Y134-V154 HydrophobicContact CE2-CG2 4.08Å; Y134-D157 WeakPolarHBondContact CE2-OD2 3.37Å; Y134-D157 PolarHBondContact OH-OD2 2.99Å
135	G	93.4	Very high	93.6	Very high	21 Å²	21	77.1 Å²	77.1	22%	0.216	39%	0.393	C	S	.	.			trans	85.7	-167.3	-172.2	0	0	0	0	0	113.1	L130 M131 E137	L130-G135 PolarHBondContact O-N 3.49Å; M131-G135 VanDerWaalsContact O-CA 3.22Å; M131-G135 WeakPolarHBondContact O-CA 3.36Å; M131-G135 PolarHBondContact O-N 3.44Å; M131-G135 VanDerWaalsContact O-N 3.13Å; G135-E137 PolarHBondContact O-N 3.2Å
136	P	93.7	Very high	93.2	Very high	42 Å²	42	73.5 Å²	73.5	27%	0.273	38%	0.381	S	S	.	.			trans	-63.7	129	-178.5	-21	32.9	0	0	0	112.2	M131 E138 E139 R140	M131-P136 HydrophobicContact CE-CB 4.48Å; M131-P136 HydrophobicContact CE-CG 4.46Å; M131-P136 HydrophobicContact SD-CG 4.01Å; P136-E138 VanDerWaalsContact C-N 3.31Å; P136-E138 PolarHBondContact O-N 3.39Å; P136-E139 HydrophobicContact CB-CB 4.45Å; P136-E139 HydrophobicContact CB-CG 4.18Å; P136-E139 PolarHBondContact O-N 3.34Å; P136-E139 VanDerWaalsContact O-N 3.11Å; P136-R140 PolarHBondContact O-N 3.43Å
137	E	92.4	Very high	92.9	Very high	101 Å²	101	73.4 Å²	73.4	47%	0.472	38%	0.383	S	S	.	.	H	α-helix	trans	-59	-41.2	-177.2	177.6	173.2	-160.3	0	0	112.1	G135 E139 R140 L141 Y150	G135-E137 PolarHBondContact O-N 3.2Å; E137-E139 PolarHBondContact O-N 3.46Å; E137-R140 PolarHBondContact O-N 2.94Å; E137-L141 HydrophobicContact CG-CD1 3.67Å; E137-L141 HydrophobicContact CG-CG 3.95Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3Å; E137-Y150 HydrophobicContact CG-CE1 4.28Å
138	E	92.7	Very high	92.7	Very high	125 Å²	125	73.7 Å²	73.7	58%	0.584	38%	0.378	S	S	*	.	H	α-helix	trans	-63.3	-27.4	-178.9	-59.9	82.1	179.2	0	0	112.6	P136 K142	P136-E138 VanDerWaalsContact C-N 3.31Å; P136-E138 PolarHBondContact O-N 3.39Å; E138-K142 VanDerWaalsContact O-CD 3.25Å; E138-K142 WeakPolarHBondContact O-CD 3.43Å; E138-K142 WeakPolarHBondContact O-CE 3.47Å; E138-K142 WeakPolarHBondContact O-CG 3.2Å; E138-K142 PolarHBondContact O-N 3.08Å
139	E	93	Very high	92.4	Very high	129 Å²	129	75 Å²	75	60%	0.603	39%	0.391	S	S	*	.	H	α-helix	trans	-76.7	-41.7	174.3	-65.5	-176.2	-176.1	0	0	110.7	P136 E137 L141 K142	P136-E139 HydrophobicContact CB-CB 4.45Å; P136-E139 HydrophobicContact CB-CG 4.18Å; P136-E139 PolarHBondContact O-N 3.34Å; P136-E139 VanDerWaalsContact O-N 3.11Å; E137-E139 PolarHBondContact O-N 3.46Å; E139-L141 PolarHBondContact O-N 2.84Å; E139-K142 PolarHBondContact O-N 3.46Å
140	R	92.1	Very high	92.2	Very high	71 Å²	71	75.3 Å²	75.3	27%	0.268	39%	0.392	S	S	.	.	H	α-helix	trans	-66	-36	177.8	-59.9	-43.7	-55.9	-128.4	5.9	113.2	Y134 P136 E137 T146 Y150	Y134-R140 WeakPolarHBondContact O-CD 3.18Å; P136-R140 PolarHBondContact O-N 3.43Å; E137-R140 PolarHBondContact O-N 2.94Å; R140-T146 PolarHBondContact NH2-OG1 3.2Å; R140-Y150 HydrophobicContact CB-CD1 3.83Å; R140-Y150 HydrophobicContact CB-CD2 3.89Å; R140-Y150 HydrophobicContact CB-CE1 3.94Å; R140-Y150 HydrophobicContact CB-CE2 3.98Å; R140-Y150 HydrophobicContact CB-CG 3.8Å; R140-Y150 HydrophobicContact CG-CD2 3.98Å; R140-Y150 HydrophobicContact CG-CE2 3.93Å; R140-Y150 HydrophobicContact CG-CG 4.39Å
141	L	92.5	Very high	92.1	Very high	73 Å²	73	78.9 Å²	78.9	38%	0.382	41%	0.407	S	S	.	.	H	α-helix	trans	-77	-21.5	179.1	-66.6	-179.4	0	0	0	113.8	E137 E139 Y150 K151	E137-L141 HydrophobicContact CG-CD1 3.67Å; E137-L141 HydrophobicContact CG-CG 3.95Å; E137-L141 WeakPolarHBondContact O-CG 3.21Å; E137-L141 PolarHBondContact O-N 3Å; E139-L141 PolarHBondContact O-N 2.84Å; L141-Y150 HydrophobicContact CD2-CD1 4.05Å; L141-Y150 HydrophobicContact CD2-CE1 3.98Å; L141-Y150 HydrophobicContact CG-CE1 4.36Å; L141-K151 HydrophobicContact CD2-CG 4.29Å
142	K	93.4	Very high	91.9	Very high	164 Å²	164	79.3 Å²	79.3	71%	0.713	41%	0.406	S	S	*	.	H	α-helix	trans	-76.8	-26.2	175.9	-78.1	169.4	-169.3	168.1	0	112.9	E138 E139 T144	E138-K142 VanDerWaalsContact O-CD 3.25Å; E138-K142 WeakPolarHBondContact O-CD 3.43Å; E138-K142 WeakPolarHBondContact O-CE 3.47Å; E138-K142 WeakPolarHBondContact O-CG 3.2Å; E138-K142 PolarHBondContact O-N 3.08Å; E139-K142 PolarHBondContact O-N 3.46Å; K142-T144 PolarHBondContact O-N 3.23Å; K142-T144 VanDerWaalsContact O-N 3.14Å
143	D	90.8	Very high	91.7	Very high	67 Å²	67	73.8 Å²	73.8	36%	0.358	39%	0.389	S	S	.	.			trans	-78.2	95	177.3	-179.4	3.5	0	0	0	110.5	A145 T146 S147	D143-A145 PolarHBondContact O-N 2.96Å; D143-A145 VanDerWaalsContact O-N 3.09Å; D143-A145 WeakPolarHBondContact OD1-CB 3.42Å; D143-A145 PolarHBondContact OD1-N 2.92Å; D143-T146 VanDerWaalsContact CG-OG1 3.31Å; D143-T146 PolarHBondContact O-N 2.66Å; D143-T146 VanDerWaalsContact O-N 3.13Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.47Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; D143-S147 VanDerWaalsContact O-CB 3.25Å; D143-S147 WeakPolarHBondContact O-CB 3.27Å; D143-S147 PolarHBondContact O-N 2.69Å
144	T	89.6	Confident	91.7	Very high	132 Å²	132	73.7 Å²	73.7	81%	0.81	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-19	179.9	55.1	0	0	0	0	113.9	K142	K142-T144 PolarHBondContact O-N 3.23Å; K142-T144 VanDerWaalsContact O-N 3.14Å
145	A	90.7	Very high	91.8	Very high	87 Å²	87	76.4 Å²	76.4	72%	0.719	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-30.1	178.6	0	0	0	0	0	112.2	D143	D143-A145 PolarHBondContact O-N 2.96Å; D143-A145 VanDerWaalsContact O-N 3.09Å; D143-A145 WeakPolarHBondContact OD1-CB 3.42Å; D143-A145 PolarHBondContact OD1-N 2.92Å
146	T	90.6	Very high	91.7	Very high	38 Å²	38	76.6 Å²	76.6	23%	0.233	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120	-2.8	-175.2	71.5	0	0	0	0	114.6	R140 D143 E148 S149 Y150	R140-T146 PolarHBondContact NH2-OG1 3.2Å; D143-T146 VanDerWaalsContact CG-OG1 3.31Å; D143-T146 PolarHBondContact O-N 2.66Å; D143-T146 VanDerWaalsContact O-N 3.13Å; D143-T146 WeakPolarHBondContact OD2-CG2 3.47Å; D143-T146 PolarHBondContact OD2-OG1 3.47Å; T146-E148 VanDerWaalsContact C-N 3.31Å; T146-E148 PolarHBondContact O-N 3.03Å; T146-S149 PolarHBondContact O-N 2.84Å; T146-S149 PolarHBondContact O-OG 3.14Å; T146-Y150 WeakPolarHBondContact O-CB 3.14Å; T146-Y150 PolarHBondContact O-N 3.11Å
147	S	91	Very high	91.7	Very high	22 Å²	22	75.3 Å²	75.3	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-61.7	-35.9	-175.5	63.6	0	0	0	0	113.6	D143 K151	D143-S147 VanDerWaalsContact O-CB 3.25Å; D143-S147 WeakPolarHBondContact O-CB 3.27Å; D143-S147 PolarHBondContact O-N 2.69Å; S147-K151 WeakPolarHBondContact O-CG 3.11Å; S147-K151 PolarHBondContact O-N 3.45Å
148	E	90.7	Very high	91.9	Very high	106 Å²	106	74.2 Å²	74.2	50%	0.495	38%	0.379	S	S	.	.	H	α-helix	trans	-76	-41	-177.8	-167.4	58	-153	0	0	112	T146 Y150 K151 K152	T146-E148 VanDerWaalsContact C-N 3.31Å; T146-E148 PolarHBondContact O-N 3.03Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 3.39Å; E148-K151 PolarHBondContact O-N 2.99Å; E148-K152 WeakPolarHBondContact O-CG 3.42Å; E148-K152 PolarHBondContact O-N 3.12Å; E148-K152 VanDerWaalsContact O-N 3.1Å
149	S	88.7	Confident	92.1	Very high	63 Å²	63	70.5 Å²	70.5	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-65.8	-36.7	173.6	55.2	0	0	0	0	111.7	T146 K152 A153	T146-S149 PolarHBondContact O-N 2.84Å; T146-S149 PolarHBondContact O-OG 3.14Å; S149-K152 PolarHBondContact O-N 2.99Å; S149-A153 WeakPolarHBondContact O-CB 3.47Å; S149-A153 PolarHBondContact O-N 2.81Å
150	Y	91.5	Very high	92.2	Very high	10 Å²	10	65.5 Å²	65.5	4%	0.039	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-50.9	171.3	164.6	-103.6	0	0	0	112	Y134 E137 R140 L141 T146 E148 K152 A153 V154	Y134-Y150 HydrophobicContact CD1-CD2 4.07Å; Y134-Y150 HydrophobicContact CD1-CE2 4.29Å; Y134-Y150 HydrophobicContact CD2-CE2 4.39Å; Y134-Y150 HydrophobicContact CG-CD2 4.13Å; Y134-Y150 AromaticContact CG-CE2 3.87Å; Y134-Y150 HydrophobicContact CG-CE2 3.87Å; E137-Y150 HydrophobicContact CG-CE1 4.28Å; R140-Y150 HydrophobicContact CB-CD1 3.83Å; R140-Y150 HydrophobicContact CB-CD2 3.89Å; R140-Y150 HydrophobicContact CB-CE1 3.94Å; R140-Y150 HydrophobicContact CB-CE2 3.98Å; R140-Y150 HydrophobicContact CB-CG 3.8Å; R140-Y150 HydrophobicContact CG-CD2 3.98Å; R140-Y150 HydrophobicContact CG-CE2 3.93Å; R140-Y150 HydrophobicContact CG-CG 4.39Å; L141-Y150 HydrophobicContact CD2-CD1 4.05Å; L141-Y150 HydrophobicContact CD2-CE1 3.98Å; L141-Y150 HydrophobicContact CG-CE1 4.36Å; T146-Y150 WeakPolarHBondContact O-CB 3.14Å; T146-Y150 PolarHBondContact O-N 3.11Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 3.39Å; Y150-K152 VanDerWaalsContact C-N 3.32Å; Y150-K152 PolarHBondContact O-N 3.06Å; Y150-A153 PolarHBondContact O-N 2.93Å; Y150-V154 HydrophobicContact CD2-CG2 3.85Å; Y150-V154 HydrophobicContact CE1-CG2 4.3Å; Y150-V154 HydrophobicContact CE2-CG2 3.35Å; Y150-V154 WeakPolarHBondContact O-CG2 3.31Å; Y150-V154 PolarHBondContact O-N 2.65Å
151	K	92.9	Very high	92.4	Very high	101 Å²	101	62.1 Å²	62.1	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-58.1	-44.8	179.7	-75.7	172.9	-174.2	174.7	0	112.2	L141 S147 E148 V154 Q155	L141-K151 HydrophobicContact CD2-CG 4.29Å; S147-K151 WeakPolarHBondContact O-CG 3.11Å; S147-K151 PolarHBondContact O-N 3.45Å; E148-K151 PolarHBondContact O-N 2.99Å; K151-V154 PolarHBondContact O-N 2.9Å; K151-Q155 WeakPolarHBondContact O-CB 3.26Å; K151-Q155 PolarHBondContact O-N 2.88Å
152	K	90.3	Very high	92.7	Very high	113 Å²	113	63.5 Å²	63.5	49%	0.491	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-50.3	175.9	-70.2	-174.4	176.8	-165.7	0	111	E148 S149 Y150 V154 Q155 H156	E148-K152 WeakPolarHBondContact O-CG 3.42Å; E148-K152 PolarHBondContact O-N 3.12Å; E148-K152 VanDerWaalsContact O-N 3.1Å; S149-K152 PolarHBondContact O-N 2.99Å; Y150-K152 VanDerWaalsContact C-N 3.32Å; Y150-K152 PolarHBondContact O-N 3.06Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.82Å; K152-Q155 WeakPolarHBondContact O-CA 3.17Å; K152-Q155 WeakPolarHBondContact O-CB 3.36Å; K152-Q155 PolarHBondContact O-N 2.76Å; K152-H156 PolarHBondContact O-CD2 2.85Å; K152-H156 PolarHBondContact O-N 3.31Å
153	A	89.6	Confident	92.9	Very high	17 Å²	17	56.7 Å²	56.7	14%	0.14	30%	0.304	C	S	.	.	H	α-helix	trans	-56.3	-44.7	178.7	0	0	0	0	0	112.4	Y134 S149 Y150 Q155 H156 D157	Y134-A153 HydrophobicContact CE1-CB 4.08Å; S149-A153 WeakPolarHBondContact O-CB 3.47Å; S149-A153 PolarHBondContact O-N 2.81Å; Y150-A153 PolarHBondContact O-N 2.93Å; A153-Q155 VanDerWaalsContact C-N 3.34Å; A153-Q155 PolarHBondContact O-N 2.82Å; A153-H156 PolarHBondContact O-N 2.89Å; A153-D157 WeakPolarHBondContact O-CB 3.18Å; A153-D157 PolarHBondContact O-N 2.91Å
154	V	94.2	Very high	93.2	Very high	25 Å²	25	53.5 Å²	53.5	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-37.8	175.8	170.5	0	0	0	0	112	W126 L130 Y134 Y150 K151 K152 R158	W126-V154 HydrophobicContact CZ2-CG1 4.04Å; L130-V154 HydrophobicContact CD2-CG1 4.05Å; L130-V154 HydrophobicContact CD2-CG2 3.9Å; Y134-V154 HydrophobicContact CD2-CG2 4.1Å; Y134-V154 HydrophobicContact CE2-CG2 4.08Å; Y150-V154 HydrophobicContact CD2-CG2 3.85Å; Y150-V154 HydrophobicContact CE1-CG2 4.3Å; Y150-V154 HydrophobicContact CE2-CG2 3.35Å; Y150-V154 WeakPolarHBondContact O-CG2 3.31Å; Y150-V154 PolarHBondContact O-N 2.65Å; K151-V154 PolarHBondContact O-N 2.9Å; K152-V154 VanDerWaalsContact C-N 3.31Å; K152-V154 PolarHBondContact O-N 2.82Å; V154-R158 VanDerWaalsContact O-CB 3.22Å; V154-R158 WeakPolarHBondContact O-CB 3.1Å; V154-R158 PolarHBondContact O-N 3.47Å
155	Q	93.5	Very high	93.6	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-46.5	176.2	-179.3	-175.8	-9.4	0	0	111.7	K151 K152 A153 R158 R159 E199	K151-Q155 WeakPolarHBondContact O-CB 3.26Å; K151-Q155 PolarHBondContact O-N 2.88Å; K152-Q155 WeakPolarHBondContact O-CA 3.17Å; K152-Q155 WeakPolarHBondContact O-CB 3.36Å; K152-Q155 PolarHBondContact O-N 2.76Å; A153-Q155 VanDerWaalsContact C-N 3.34Å; A153-Q155 PolarHBondContact O-N 2.82Å; Q155-R158 PolarHBondContact O-N 3.15Å; Q155-R159 PolarHBondContact O-N 3.21Å; Q155-E199 PolarHBondContact NE2-OE1 2.89Å
156	H	90.8	Very high	93.9	Very high	24 Å²	24	49 Å²	49	11%	0.111	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-47.9	176.4	-66.7	-72.1	0	0	0	111.1	H24 K152 A153 R158 R159 R160 E199	H24-H156 AromaticContact NE2-CE1 3.93Å; H24-H156 AromaticContact NE2-NE2 3.92Å; K152-H156 PolarHBondContact O-CD2 2.85Å; K152-H156 PolarHBondContact O-N 3.31Å; A153-H156 PolarHBondContact O-N 2.89Å; H156-R158 VanDerWaalsContact C-N 3.31Å; H156-R158 PolarHBondContact O-N 2.76Å; H156-R159 PolarHBondContact ND1-NH1 3.06Å; H156-R159 WeakPolarHBondContact O-CB 3.14Å; H156-R159 PolarHBondContact O-N 3.2Å; H156-R160 PolarHBondContact O-N 2.77Å; H156-R160 VanDerWaalsContact O-N 3.09Å; H156-E199 IonicContact CE1-OE2 3.43Å; H156-E199 PolarHBondContact CE1-OE2 3.24Å; H156-E199 IonicContact ND1-OE2 3.65Å; H156-E199 PolarHBondContact ND1-OE2 3.29Å; H156-E199 IonicContact NE2-OE2 3.61Å
157	D	95.3	Very high	94.3	Very high	16 Å²	16	52 Å²	52	9%	0.086	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-40.7	176.6	-79.8	-1.8	0	0	0	111.5	W126 Y129 Y134 A153 R159 R160 W161 F180	W126-D157 HydrophobicContact CH2-CB 3.84Å; W126-D157 HydrophobicContact CZ3-CB 4.18Å; Y129-D157 HydrophobicContact CE1-CB 4.1Å; Y129-D157 VanDerWaalsContact CE1-OD2 3.3Å; Y129-D157 WeakPolarHBondContact CE1-OD2 3.29Å; Y129-D157 PolarHBondContact OH-OD2 2.82Å; Y134-D157 WeakPolarHBondContact CE2-OD2 3.37Å; Y134-D157 PolarHBondContact OH-OD2 2.99Å; A153-D157 WeakPolarHBondContact O-CB 3.18Å; A153-D157 PolarHBondContact O-N 2.91Å; D157-R159 VanDerWaalsContact C-N 3.33Å; D157-R159 PolarHBondContact O-N 3.39Å; D157-R160 PolarHBondContact O-N 3.18Å; D157-W161 VanDerWaalsContact O-CB 3.25Å; D157-W161 WeakPolarHBondContact O-CB 3.03Å; D157-W161 PolarHBondContact O-N 3.06Å; D157-F180 HydrophobicContact CB-CE2 4.4Å; D157-F180 HydrophobicContact CB-CZ 4.29Å; D157-F180 WeakPolarHBondContact O-CE2 3.44Å
158	R	96.7	Very high	94.6	Very high	77 Å²	77	59.2 Å²	59.2	29%	0.291	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-40.3	179.2	-177.6	60	-178.9	-174.9	10.6	111.6	W126 V154 Q155 H156 W161 I162 D170	W126-R158 HydrophobicContact CH2-CB 3.83Å; W126-R158 HydrophobicContact CZ2-CB 3.74Å; W126-R158 HydrophobicContact CZ2-CG 4.26Å; V154-R158 VanDerWaalsContact O-CB 3.22Å; V154-R158 WeakPolarHBondContact O-CB 3.1Å; V154-R158 PolarHBondContact O-N 3.47Å; Q155-R158 PolarHBondContact O-N 3.15Å; H156-R158 VanDerWaalsContact C-N 3.31Å; H156-R158 PolarHBondContact O-N 2.76Å; R158-W161 WeakPolarHBondContact O-CB 3.13Å; R158-W161 PolarHBondContact O-N 3.04Å; R158-I162 HydrophobicContact CG-CD1 4Å; R158-I162 VanDerWaalsContact O-CG1 3.31Å; R158-I162 WeakPolarHBondContact O-CG1 3.17Å; R158-I162 PolarHBondContact O-N 3.48Å; R158-D170 IonicContact CZ-OD1 2.73Å; R158-D170 IonicContact NH1-OD1 3.8Å; R158-D170 PolarHBondContact NH1-OD1 2.93Å; R158-D170 IonicContact NH1-OD2 3.5Å; R158-D170 IonicContact NH2-OD1 3.87Å; R158-D170 PolarHBondContact NH2-OD1 3.14Å
159	R	95.7	Very high	94.9	Very high	47 Å²	47	58 Å²	58	18%	0.177	29%	0.288	C	S	.	.	H	α-helix	trans	-61.2	-48.7	177	-173.2	-174.9	-63.4	121.2	2	110.9	Q155 H156 D157 I162 A163 A192 D195 E199	Q155-R159 PolarHBondContact O-N 3.21Å; H156-R159 PolarHBondContact ND1-NH1 3.06Å; H156-R159 WeakPolarHBondContact O-CB 3.14Å; H156-R159 PolarHBondContact O-N 3.2Å; D157-R159 VanDerWaalsContact C-N 3.33Å; D157-R159 PolarHBondContact O-N 3.39Å; R159-I162 PolarHBondContact O-N 3.39Å; R159-A163 PolarHBondContact O-N 2.63Å; R159-A163 VanDerWaalsContact O-N 3.09Å; R159-A192 HydrophobicContact CG-CB 3.84Å; R159-D195 IonicContact NE-OD2 3.22Å; R159-E199 IonicContact CZ-OE1 3.39Å; R159-E199 IonicContact CZ-OE2 3.58Å; R159-E199 IonicContact NH1-OE1 3.11Å; R159-E199 IonicContact NH1-OE2 3.62Å; R159-E199 PolarHBondContact NH1-OE2 2.76Å; R159-E199 VanDerWaalsContact NH2-CD 3.27Å; R159-E199 IonicContact NH2-OE1 2.92Å; R159-E199 PolarHBondContact NH2-OE1 3.11Å; R159-E199 IonicContact NH2-OE2 2.6Å; R159-E199 PolarHBondContact NH2-OE2 3.14Å
160	R	95.3	Very high	95.3	Very high	25 Å²	25	58 Å²	58	9%	0.094	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-41.8	175.7	-68	174.7	-179.1	-174.6	-5.4	111.6	H156 D157 I162 A163 A164 F180 M189 A192 E196	H156-R160 PolarHBondContact O-N 2.77Å; H156-R160 VanDerWaalsContact O-N 3.09Å; D157-R160 PolarHBondContact O-N 3.18Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 3.21Å; R160-A163 PolarHBondContact O-N 2.79Å; R160-A163 VanDerWaalsContact O-N 3.14Å; R160-A164 WeakPolarHBondContact O-CB 3.32Å; R160-A164 PolarHBondContact O-N 3.08Å; R160-F180 HydrophobicContact CB-CD2 3.66Å; R160-F180 HydrophobicContact CB-CE2 3.74Å; R160-M189 HydrophobicContact CB-CE 3.89Å; R160-M189 HydrophobicContact CG-CE 4.32Å; R160-M189 VanDerWaalsContact O-CE 3.32Å; R160-M189 WeakPolarHBondContact O-CE 3.32Å; R160-A192 HydrophobicContact CG-CB 4.34Å; R160-E196 IonicContact CZ-OE1 3.64Å; R160-E196 IonicContact CZ-OE2 3.76Å; R160-E196 IonicContact NE-OE1 3.54Å; R160-E196 IonicContact NE-OE2 3.97Å; R160-E196 PolarHBondContact NE-OE2 2.87Å; R160-E196 IonicContact NH2-OE1 2.66Å; R160-E196 PolarHBondContact NH2-OE1 3.26Å; R160-E196 IonicContact NH2-OE2 2.76Å; R160-E196 PolarHBondContact NH2-OE2 2.78Å
161	W	97.6	Very high	95.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.4	-49.3	178	-171.9	-78.5	0	0	0	111.3	I124 W126 Y129 D157 R158 A163 A164 D165 L172 F180	I124-W161 HydrophobicContact CB-CH2 4.4Å; I124-W161 HydrophobicContact CG2-CH2 4.19Å; I124-W161 VanDerWaalsContact O-CH2 3.3Å; I124-W161 WeakPolarHBondContact O-CH2 3.35Å; I124-W161 VanDerWaalsContact O-CZ2 3.27Å; I124-W161 WeakPolarHBondContact O-CZ2 3.31Å; W126-W161 HydrophobicContact CB-CZ2 4.02Å; W126-W161 HydrophobicContact CD2-CD2 4.4Å; W126-W161 HydrophobicContact CD2-CG 4.48Å; W126-W161 HydrophobicContact CE3-CB 4.04Å; W126-W161 AromaticContact CE3-CD2 3.41Å; W126-W161 HydrophobicContact CE3-CD2 3.41Å; W126-W161 VanDerWaalsContact CE3-CD2 3.41Å; W126-W161 AromaticContact CE3-CE2 3.95Å; W126-W161 AromaticContact CE3-CE3 3.52Å; W126-W161 HydrophobicContact CE3-CE3 3.52Å; W126-W161 AromaticContact CE3-CG 3.65Å; W126-W161 HydrophobicContact CE3-CG 3.65Å; W126-W161 HydrophobicContact CE3-CZ2 4.49Å; W126-W161 HydrophobicContact CE3-CZ3 4.14Å; W126-W161 HydrophobicContact CZ3-CB 3.9Å; W126-W161 AromaticContact CZ3-CD2 3.97Å; W126-W161 HydrophobicContact CZ3-CD2 3.97Å; W126-W161 AromaticContact CZ3-CE3 3.83Å; W126-W161 HydrophobicContact CZ3-CE3 3.83Å; W126-W161 HydrophobicContact CZ3-CG 4.02Å; W126-W161 VanDerWaalsContact N-CZ2 3.27Å; Y129-W161 HydrophobicContact CD1-CE3 4.35Å; Y129-W161 HydrophobicContact CD1-CZ3 4.15Å; Y129-W161 HydrophobicContact CD2-CZ3 4.03Å; Y129-W161 HydrophobicContact CG-CE3 4.28Å; Y129-W161 HydrophobicContact CG-CH2 4.39Å; Y129-W161 AromaticContact CG-CZ3 3.64Å; Y129-W161 HydrophobicContact CG-CZ3 3.64Å; D157-W161 VanDerWaalsContact O-CB 3.25Å; D157-W161 WeakPolarHBondContact O-CB 3.03Å; D157-W161 PolarHBondContact O-N 3.06Å; R158-W161 WeakPolarHBondContact O-CB 3.13Å; R158-W161 PolarHBondContact O-N 3.04Å; W161-A163 VanDerWaalsContact C-N 3.32Å; W161-A163 PolarHBondContact O-N 3.44Å; W161-A164 PolarHBondContact O-N 2.79Å; W161-D165 VanDerWaalsContact O-CB 3.26Å; W161-D165 WeakPolarHBondContact O-CB 3.32Å; W161-D165 PolarHBondContact O-N 3.35Å; W161-L172 HydrophobicContact CD2-CD1 3.69Å; W161-L172 HydrophobicContact CD2-CD2 4.31Å; W161-L172 HydrophobicContact CD2-CG 3.79Å; W161-L172 HydrophobicContact CE3-CD1 3.38Å; W161-L172 HydrophobicContact CE3-CG 3.9Å; W161-L172 HydrophobicContact CG-CD1 4.44Å; W161-L172 HydrophobicContact CH2-CB 4.22Å; W161-L172 HydrophobicContact CH2-CD1 3.93Å; W161-L172 HydrophobicContact CH2-CG 3.76Å; W161-L172 HydrophobicContact CZ2-CB 4.3Å; W161-L172 HydrophobicContact CZ2-CD1 4.2Å; W161-L172 HydrophobicContact CZ2-CG 3.64Å; W161-L172 HydrophobicContact CZ3-CD1 3.51Å; W161-L172 HydrophobicContact CZ3-CG 3.89Å; W161-F180 HydrophobicContact CB-CE2 4.43Å; W161-F180 HydrophobicContact CE3-CE2 4.4Å
162	I	97.9	Very high	95.9	Very high	101 Å²	101	53.1 Å²	53.1	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-63	-38.3	177.5	-67.1	165.3	0	0	0	111.6	R158 R159 R160 A164	R158-I162 HydrophobicContact CG-CD1 4Å; R158-I162 VanDerWaalsContact O-CG1 3.31Å; R158-I162 WeakPolarHBondContact O-CG1 3.17Å; R158-I162 PolarHBondContact O-N 3.48Å; R159-I162 PolarHBondContact O-N 3.39Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 3.21Å; I162-A164 VanDerWaalsContact C-N 3.31Å
163	A	97.1	Very high	96.3	Very high	22 Å²	22	50 Å²	50	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-70.9	-27.1	178.2	0	0	0	0	0	113.3	R159 R160 W161 N188 M189 A192	R159-A163 PolarHBondContact O-N 2.63Å; R159-A163 VanDerWaalsContact O-N 3.09Å; R160-A163 PolarHBondContact O-N 2.79Å; R160-A163 VanDerWaalsContact O-N 3.14Å; W161-A163 VanDerWaalsContact C-N 3.32Å; W161-A163 PolarHBondContact O-N 3.44Å; A163-N188 PolarHBondContact O-ND2 3.16Å; A163-M189 HydrophobicContact CB-CE 4.09Å; A163-M189 HydrophobicContact CB-SD 3.66Å; A163-A192 HydrophobicContact CB-CB 4.02Å
164	A	97.7	Very high	96.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-86.8	-33.1	179.7	0	0	0	0	0	112.9	R160 W161 I162 L166 L172 E176 D179 F180 M189	R160-A164 WeakPolarHBondContact O-CB 3.32Å; R160-A164 PolarHBondContact O-N 3.08Å; W161-A164 PolarHBondContact O-N 2.79Å; I162-A164 VanDerWaalsContact C-N 3.31Å; A164-L166 PolarHBondContact O-N 3.3Å; A164-L166 VanDerWaalsContact O-N 3.13Å; A164-L172 HydrophobicContact CB-CD1 4.43Å; A164-L172 HydrophobicContact CB-CD2 4.01Å; A164-E176 VanDerWaalsContact O-CB 3.32Å; A164-E176 WeakPolarHBondContact O-CB 3.47Å; A164-E176 VanDerWaalsContact O-CG 3.29Å; A164-E176 WeakPolarHBondContact O-CG 3.35Å; A164-D179 HydrophobicContact CB-CB 4.42Å; A164-F180 HydrophobicContact CB-CB 3.85Å; A164-M189 VanDerWaalsContact CA-SD 3.58Å; A164-M189 HydrophobicContact CB-CE 4.02Å; A164-M189 HydrophobicContact CB-SD 3.73Å; A164-M189 PolarHBondContact N-SD 3.38Å; A164-M189 VanDerWaalsContact N-SD 3.39Å
165	D	98.2	Very high	96.7	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.07	28%	0.284	C	S	.	.			trans	-71.6	95.2	177.8	-178.9	-0.7	0	0	0	110.1	W161 E168 D169 D170 L172	W161-D165 VanDerWaalsContact O-CB 3.26Å; W161-D165 WeakPolarHBondContact O-CB 3.32Å; W161-D165 PolarHBondContact O-N 3.35Å; D165-E168 VanDerWaalsContact OD1-CA 3.27Å; D165-E168 WeakPolarHBondContact OD1-CA 3.47Å; D165-E168 PolarHBondContact OD1-N 3.37Å; D165-D169 PolarHBondContact OD1-N 3.17Å; D165-D169 PolarHBondContact OD2-N 2.78Å; D165-D170 VanDerWaalsContact OD2-CA 3.3Å; D165-D170 WeakPolarHBondContact OD2-CA 3.27Å; D165-D170 PolarHBondContact OD2-N 2.79Å; D165-L172 HydrophobicContact CB-CD2 3.73Å
166	L	97.4	Very high	96.9	Very high	110 Å²	110	52.4 Å²	52.4	58%	0.576	26%	0.264	S	S	*	.	S	Bend	trans	-83.5	-21.8	-171.9	-65.1	179.7	0	0	0	112.8	A164 E176 N188	A164-L166 PolarHBondContact O-N 3.3Å; A164-L166 VanDerWaalsContact O-N 3.13Å; L166-E176 PolarHBondContact N-OE1 2.82Å; L166-E176 VanDerWaalsContact N-OE1 3.12Å; L166-N188 HydrophobicContact CD2-CB 4.27Å
167	D	97.5	Very high	97.2	Very high	101 Å²	101	51.2 Å²	51.2	54%	0.54	26%	0.259	S	S	.	.	S	Bend	trans	-100.7	-1.7	177.6	71	10.9	0	0	0	114.1	D169	D167-D169 VanDerWaalsContact C-N 3.29Å; D167-D169 PolarHBondContact O-N 3.45Å; D167-D169 WeakPolarHBondContact OD1-CB 3.3Å; D167-D169 PolarHBondContact OD1-N 2.91Å
168	E	97.5	Very high	97.2	Very high	175 Å²	175	51.8 Å²	51.8	82%	0.818	26%	0.263	S	S	*	.			trans	60.9	33.9	174.6	-55.9	179.4	-172.8	0	0	112.8	D165	D165-E168 VanDerWaalsContact OD1-CA 3.27Å; D165-E168 WeakPolarHBondContact OD1-CA 3.47Å; D165-E168 PolarHBondContact OD1-N 3.37Å
169	D	97.8	Very high	97.1	Very high	80 Å²	80	48.5 Å²	48.5	43%	0.428	25%	0.251	S	S	.	.	S	Bend	trans	-90.3	3.3	-179.1	92.4	-6.2	0	0	0	114.5	D165 D167 S171	D165-D169 PolarHBondContact OD1-N 3.17Å; D165-D169 PolarHBondContact OD2-N 2.78Å; D167-D169 VanDerWaalsContact C-N 3.29Å; D167-D169 PolarHBondContact O-N 3.45Å; D167-D169 WeakPolarHBondContact OD1-CB 3.3Å; D167-D169 PolarHBondContact OD1-N 2.91Å; D169-S171 PolarHBondContact O-N 3.3Å; D169-S171 WeakPolarHBondContact OD1-CA 3.35Å; D169-S171 WeakPolarHBondContact OD1-CB 3.39Å; D169-S171 PolarHBondContact OD1-N 3.19Å; D169-S171 PolarHBondContact OD1-OG 3.31Å
170	D	97.8	Very high	97.1	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	24%	0.244	S	C	.	.	S	Bend	trans	62.3	22.3	-176	-157.4	50.5	0	0	0	113.6	W126 R158 D165	W126-D170 PolarHBondContact N-O 2.78Å; W126-D170 VanDerWaalsContact N-O 3.15Å; R158-D170 IonicContact CZ-OD1 2.73Å; R158-D170 IonicContact NH1-OD1 3.8Å; R158-D170 PolarHBondContact NH1-OD1 2.93Å; R158-D170 IonicContact NH1-OD2 3.5Å; R158-D170 IonicContact NH2-OD1 3.87Å; R158-D170 PolarHBondContact NH2-OD1 3.14Å; D165-D170 VanDerWaalsContact OD2-CA 3.3Å; D165-D170 WeakPolarHBondContact OD2-CA 3.27Å; D165-D170 PolarHBondContact OD2-N 2.79Å
171	S	98.2	Very high	97	Very high	9 Å²	9	46 Å²	46	6%	0.063	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.1	174.4	-37.8	0	0	0	0	109.8	I124 D169	I124-S171 CarbonylContact O-C 3.59Å; I124-S171 WeakPolarHBondContact O-CA 3.41Å; I124-S171 WeakPolarHBondContact O-CB 3.47Å; D169-S171 PolarHBondContact O-N 3.3Å; D169-S171 WeakPolarHBondContact OD1-CA 3.35Å; D169-S171 WeakPolarHBondContact OD1-CB 3.39Å; D169-S171 PolarHBondContact OD1-N 3.19Å; D169-S171 PolarHBondContact OD1-OG 3.31Å
172	L	98.5	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.3	171.2	-58.8	-179.5	0	0	0	109.7	V123 I124 W161 A164 D165 E176 F177 F180	V123-L172 CarbonylContact C-O 3.45Å; V123-L172 VanDerWaalsContact CA-O 3.3Å; V123-L172 WeakPolarHBondContact CA-O 3.4Å; I124-L172 PolarHBondContact N-O 3.31Å; I124-L172 PolarHBondContact O-N 2.89Å; W161-L172 HydrophobicContact CD2-CD1 3.69Å; W161-L172 HydrophobicContact CD2-CD2 4.31Å; W161-L172 HydrophobicContact CD2-CG 3.79Å; W161-L172 HydrophobicContact CE3-CD1 3.38Å; W161-L172 HydrophobicContact CE3-CG 3.9Å; W161-L172 HydrophobicContact CG-CD1 4.44Å; W161-L172 HydrophobicContact CH2-CB 4.22Å; W161-L172 HydrophobicContact CH2-CD1 3.93Å; W161-L172 HydrophobicContact CH2-CG 3.76Å; W161-L172 HydrophobicContact CZ2-CB 4.3Å; W161-L172 HydrophobicContact CZ2-CD1 4.2Å; W161-L172 HydrophobicContact CZ2-CG 3.64Å; W161-L172 HydrophobicContact CZ3-CD1 3.51Å; W161-L172 HydrophobicContact CZ3-CG 3.89Å; A164-L172 HydrophobicContact CB-CD1 4.43Å; A164-L172 HydrophobicContact CB-CD2 4.01Å; D165-L172 HydrophobicContact CB-CD2 3.73Å; L172-E176 HydrophobicContact CB-CB 4.08Å; L172-E176 HydrophobicContact CD2-CB 3.76Å; L172-E176 HydrophobicContact CG-CB 4.42Å; L172-F177 HydrophobicContact CB-CB 4.21Å; L172-F177 HydrophobicContact CD1-CD2 4.33Å; L172-F180 HydrophobicContact CD1-CB 3.67Å; L172-F180 HydrophobicContact CD1-CD1 4.34Å; L172-F180 HydrophobicContact CD1-CD2 4.37Å; L172-F180 HydrophobicContact CD1-CG 3.87Å
173	N	97.9	Very high	96.2	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	175.7	160.9	73	58.6	0	0	0	110.5	V123 T175 E176 F177	V123-N173 HydrophobicContact CG1-CB 4.02Å; N173-T175 VanDerWaalsContact C-N 3.29Å; N173-T175 PolarHBondContact O-N 3.39Å; N173-T175 WeakPolarHBondContact OD1-CA 3.21Å; N173-T175 VanDerWaalsContact OD1-CB 3.32Å; N173-T175 WeakPolarHBondContact OD1-CB 3.46Å; N173-T175 PolarHBondContact OD1-N 2.66Å; N173-E176 PolarHBondContact N-OE2 3.38Å; N173-E176 PolarHBondContact ND2-OE2 2.86Å; N173-E176 PolarHBondContact O-N 2.9Å; N173-E176 PolarHBondContact OD1-N 3.36Å; N173-F177 VanDerWaalsContact O-CB 3.27Å; N173-F177 WeakPolarHBondContact O-CB 3.5Å; N173-F177 PolarHBondContact O-N 3.05Å
174	K	96.8	Very high	95.4	Very high	84 Å²	84	43.3 Å²	43.3	37%	0.365	23%	0.225	S	C	.	.	H	α-helix	trans	-63.7	-32.6	-174.3	-169.5	168.7	-176.7	175.1	0	114	D110 W113 T178	D110-K174 WeakPolarHBondContact OD1-CE 3.33Å; D110-K174 IonicContact OD1-NZ 3.93Å; D110-K174 PolarHBondContact OD1-NZ 3.29Å; W113-K174 HydrophobicContact CD2-CB 4.32Å; W113-K174 HydrophobicContact CD2-CD 4.48Å; W113-K174 HydrophobicContact CD2-CG 4.13Å; W113-K174 HydrophobicContact CE3-CB 4.26Å; W113-K174 HydrophobicContact CE3-CG 4.29Å; W113-K174 HydrophobicContact CG-CG 4.5Å; W113-K174 HydrophobicContact CH2-CB 4.09Å; W113-K174 HydrophobicContact CZ2-CB 4.14Å; W113-K174 HydrophobicContact CZ3-CB 4.15Å; K174-T178 PolarHBondContact O-N 2.56Å; K174-T178 PolarHBondContact O-OG1 3.35Å
175	T	96.3	Very high	94.5	Very high	98 Å²	98	47.4 Å²	47.4	60%	0.601	25%	0.247	S	C	*	.	H	α-helix	trans	-68.9	-50.4	176.8	-58.4	0	0	0	0	109.9	N173 F177 T178 D179	N173-T175 VanDerWaalsContact C-N 3.29Å; N173-T175 PolarHBondContact O-N 3.39Å; N173-T175 WeakPolarHBondContact OD1-CA 3.21Å; N173-T175 VanDerWaalsContact OD1-CB 3.32Å; N173-T175 WeakPolarHBondContact OD1-CB 3.46Å; N173-T175 PolarHBondContact OD1-N 2.66Å; T175-F177 VanDerWaalsContact C-N 3.29Å; T175-F177 PolarHBondContact O-N 3.19Å; T175-T178 WeakPolarHBondContact O-CA 2.9Å; T175-T178 WeakPolarHBondContact O-CB 3.37Å; T175-T178 PolarHBondContact O-N 3.12Å; T175-D179 PolarHBondContact O-N 3.46Å
176	E	97.7	Very high	94	Very high	9 Å²	9	50.2 Å²	50.2	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-63.2	-38.3	178.5	-62.1	167.5	149.3	0	0	111.3	A164 L166 L172 N173 T178 D179 F180	A164-E176 VanDerWaalsContact O-CB 3.32Å; A164-E176 WeakPolarHBondContact O-CB 3.47Å; A164-E176 VanDerWaalsContact O-CG 3.29Å; A164-E176 WeakPolarHBondContact O-CG 3.35Å; L166-E176 PolarHBondContact N-OE1 2.82Å; L166-E176 VanDerWaalsContact N-OE1 3.12Å; L172-E176 HydrophobicContact CB-CB 4.08Å; L172-E176 HydrophobicContact CD2-CB 3.76Å; L172-E176 HydrophobicContact CG-CB 4.42Å; N173-E176 PolarHBondContact N-OE2 3.38Å; N173-E176 PolarHBondContact ND2-OE2 2.86Å; N173-E176 PolarHBondContact O-N 2.9Å; N173-E176 PolarHBondContact OD1-N 3.36Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.36Å; E176-D179 WeakPolarHBondContact O-CB 3.47Å; E176-D179 PolarHBondContact O-N 3.07Å; E176-F180 PolarHBondContact O-N 3.02Å
177	F	96.6	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-33.8	173.7	-173.8	-96.2	0	0	0	112.6	T109 Q112 W113 I116 I124 L172 N173 T175 D179 F180 V181	T109-F177 HydrophobicContact CG2-CD1 4.16Å; Q112-F177 HydrophobicContact CB-CE1 3.88Å; Q112-F177 HydrophobicContact CB-CZ 3.97Å; W113-F177 HydrophobicContact CB-CD1 4.17Å; W113-F177 HydrophobicContact CB-CE1 4.05Å; W113-F177 HydrophobicContact CE3-CB 3.63Å; W113-F177 AromaticContact CE3-CD1 3.68Å; W113-F177 HydrophobicContact CE3-CD1 3.68Å; W113-F177 HydrophobicContact CE3-CD2 4.28Å; W113-F177 HydrophobicContact CE3-CE1 4.41Å; W113-F177 AromaticContact CE3-CG 3.59Å; W113-F177 HydrophobicContact CE3-CG 3.59Å; W113-F177 HydrophobicContact CZ3-CB 3.63Å; W113-F177 HydrophobicContact CZ3-CG 4.01Å; I116-F177 HydrophobicContact CD1-CE2 4.05Å; I116-F177 HydrophobicContact CD1-CZ 3.87Å; I124-F177 HydrophobicContact CD1-CD2 4.23Å; I124-F177 HydrophobicContact CD1-CE2 4.31Å; L172-F177 HydrophobicContact CB-CB 4.21Å; L172-F177 HydrophobicContact CD1-CD2 4.33Å; N173-F177 VanDerWaalsContact O-CB 3.27Å; N173-F177 WeakPolarHBondContact O-CB 3.5Å; N173-F177 PolarHBondContact O-N 3.05Å; T175-F177 VanDerWaalsContact C-N 3.29Å; T175-F177 PolarHBondContact O-N 3.19Å; F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 3.35Å; F177-F180 HydrophobicContact CD2-CD1 4.1Å; F177-F180 HydrophobicContact CE2-CD1 4.01Å; F177-F180 HydrophobicContact CE2-CE1 4.39Å; F177-F180 PolarHBondContact O-N 3.46Å; F177-V181 HydrophobicContact CD1-CG1 4.12Å; F177-V181 HydrophobicContact CD1-CG2 4.45Å; F177-V181 HydrophobicContact CE1-CG1 3.57Å; F177-V181 HydrophobicContact CE1-CG2 4.39Å; F177-V181 HydrophobicContact CE2-CG1 4.07Å; F177-V181 HydrophobicContact CZ-CG1 3.54Å; F177-V181 WeakPolarHBondContact O-CG2 3.22Å; F177-V181 PolarHBondContact O-N 3.11Å
178	T	95.5	Very high	93.5	Very high	27 Å²	27	48.4 Å²	48.4	17%	0.166	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-37.6	172.6	-54.8	0	0	0	0	111	T109 K174 T175 E176 H182	T109-T178 HydrophobicContact CG2-CG2 4.29Å; T109-T178 WeakPolarHBondContact CG2-OG1 3.42Å; K174-T178 PolarHBondContact O-N 2.56Å; K174-T178 PolarHBondContact O-OG1 3.35Å; T175-T178 WeakPolarHBondContact O-CA 2.9Å; T175-T178 WeakPolarHBondContact O-CB 3.37Å; T175-T178 PolarHBondContact O-N 3.12Å; E176-T178 VanDerWaalsContact C-N 3.28Å; E176-T178 PolarHBondContact O-N 3.36Å; T178-H182 WeakPolarHBondContact O-CB 3.25Å; T178-H182 PolarHBondContact O-N 2.97Å; T178-H182 VanDerWaalsContact O-N 3.11Å
179	D	94.8	Very high	93.3	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	21%	0.214	C	C	.	.	H	α-helix	trans	-72.5	-39.2	178.2	-63.1	4.3	0	0	0	110.6	A164 T175 E176 F177 H182 P183 R186 M189	A164-D179 HydrophobicContact CB-CB 4.42Å; T175-D179 PolarHBondContact O-N 3.46Å; E176-D179 WeakPolarHBondContact O-CB 3.47Å; E176-D179 PolarHBondContact O-N 3.07Å; F177-D179 VanDerWaalsContact C-N 3.27Å; F177-D179 PolarHBondContact O-N 3.35Å; D179-H182 CarbonylContact O-C 3.49Å; D179-H182 PolarHBondContact O-N 2.95Å; D179-P183 WeakPolarHBondContact O-CA 3.34Å; D179-P183 VanDerWaalsContact O-N 3.1Å; D179-R186 HydrophobicContact CB-CB 4.45Å; D179-R186 HydrophobicContact CB-CG 3.87Å; D179-R186 VanDerWaalsContact CG-CG 3.48Å; D179-R186 VanDerWaalsContact CG-NE 3.35Å; D179-R186 WeakPolarHBondContact OD1-CD 3.45Å; D179-R186 WeakPolarHBondContact OD1-CG 3.48Å; D179-R186 IonicContact OD1-CZ 2.97Å; D179-R186 IonicContact OD1-NE 2.63Å; D179-R186 PolarHBondContact OD1-NE 2.87Å; D179-R186 IonicContact OD1-NH2 2.82Å; D179-R186 PolarHBondContact OD1-NH2 2.62Å; D179-R186 IonicContact OD2-NE 2.72Å; D179-M189 HydrophobicContact CB-CG 4.25Å; D179-M189 HydrophobicContact CB-SD 4.38Å
180	F	95.4	Very high	93	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-60.6	-44.4	174.3	172	-104.9	0	0	0	113.3	Y129 D157 R160 W161 A164 L172 E176 F177	Y129-F180 HydrophobicContact CD2-CE1 4.46Å; Y129-F180 HydrophobicContact CE1-CZ 4.1Å; Y129-F180 AromaticContact CE2-CE1 3.67Å; Y129-F180 HydrophobicContact CE2-CE1 3.67Å; Y129-F180 HydrophobicContact CE2-CZ 4.01Å; Y129-F180 AromaticContact CZ-CE1 3.74Å; Y129-F180 AromaticContact CZ-CZ 3.59Å; Y129-F180 WeakPolarHBondContact OH-CZ 3.33Å; D157-F180 HydrophobicContact CB-CE2 4.4Å; D157-F180 HydrophobicContact CB-CZ 4.29Å; D157-F180 WeakPolarHBondContact O-CE2 3.44Å; R160-F180 HydrophobicContact CB-CD2 3.66Å; R160-F180 HydrophobicContact CB-CE2 3.74Å; W161-F180 HydrophobicContact CB-CE2 4.43Å; W161-F180 HydrophobicContact CE3-CE2 4.4Å; A164-F180 HydrophobicContact CB-CB 3.85Å; L172-F180 HydrophobicContact CD1-CB 3.67Å; L172-F180 HydrophobicContact CD1-CD1 4.34Å; L172-F180 HydrophobicContact CD1-CD2 4.37Å; L172-F180 HydrophobicContact CD1-CG 3.87Å; E176-F180 PolarHBondContact O-N 3.02Å; F177-F180 HydrophobicContact CD2-CD1 4.1Å; F177-F180 HydrophobicContact CE2-CD1 4.01Å; F177-F180 HydrophobicContact CE2-CE1 4.39Å; F177-F180 PolarHBondContact O-N 3.46Å
181	V	92.4	Very high	92.8	Very high	15 Å²	15	40.6 Å²	40.6	9%	0.091	21%	0.213	C	C	.	.	H	α-helix	trans	-83.5	-15.3	-178.3	-63.4	0	0	0	0	114.1	T109 F177	T109-V181 HydrophobicContact CG2-CG2 4.37Å; F177-V181 HydrophobicContact CD1-CG1 4.12Å; F177-V181 HydrophobicContact CD1-CG2 4.45Å; F177-V181 HydrophobicContact CE1-CG1 3.57Å; F177-V181 HydrophobicContact CE1-CG2 4.39Å; F177-V181 HydrophobicContact CE2-CG1 4.07Å; F177-V181 HydrophobicContact CZ-CG1 3.54Å; F177-V181 WeakPolarHBondContact O-CG2 3.22Å; F177-V181 PolarHBondContact O-N 3.11Å
182	H	89.1	Confident	92.5	Very high	23 Å²	23	40.3 Å²	40.3	11%	0.106	21%	0.212	C	C	.	.			trans	-140.6	63	-179.6	-59.7	-76.4	0	0	0	111.7	K105 T109 T178 D179 E184	K105-H182 HydrophobicContact CD-CB 4.19Å; K105-H182 VanDerWaalsContact CE-CG 3.44Å; K105-H182 HydrophobicContact CG-CB 4.42Å; K105-H182 VanDerWaalsContact CG-CD2 3.47Å; K105-H182 WeakPolarHBondContact CG-CD2 3.36Å; K105-H182 PolarHBondContact NZ-O 3.34Å; K105-H182 PolarHBondContact O-NE2 2.9Å; T109-H182 PolarHBondContact OG1-CD2 3.05Å; T109-H182 PolarHBondContact OG1-NE2 2.82Å; T178-H182 WeakPolarHBondContact O-CB 3.25Å; T178-H182 PolarHBondContact O-N 2.97Å; T178-H182 VanDerWaalsContact O-N 3.11Å; D179-H182 CarbonylContact O-C 3.49Å; D179-H182 PolarHBondContact O-N 2.95Å; H182-E184 VanDerWaalsContact C-N 3.27Å; H182-E184 WeakPolarHBondContact CA-OE2 3.36Å; H182-E184 WeakPolarHBondContact CB-OE1 3.49Å; H182-E184 IonicContact CG-OE1 2.8Å; H182-E184 IonicContact ND1-OE1 3.05Å; H182-E184 PolarHBondContact O-N 3.37Å
183	P	89.2	Confident	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-69.6	-20.9	-172.1	30	-37.4	0	0	0	114.1	L25 D179 D185 R186 M189 V193	L25-P183 HydrophobicContact CD1-CG 4.18Å; L25-P183 HydrophobicContact CD2-CG 3.25Å; L25-P183 HydrophobicContact CG-CG 4.33Å; D179-P183 WeakPolarHBondContact O-CA 3.34Å; D179-P183 VanDerWaalsContact O-N 3.1Å; P183-D185 PolarHBondContact O-N 3.19Å; P183-D185 VanDerWaalsContact O-N 3.12Å; P183-R186 PolarHBondContact O-N 3.14Å; P183-R186 VanDerWaalsContact O-N 3.12Å; P183-M189 HydrophobicContact CB-CB 3.43Å; P183-M189 VanDerWaalsContact CB-CB 3.43Å; P183-M189 HydrophobicContact CB-CE 3.72Å; P183-M189 HydrophobicContact CB-CG 3.81Å; P183-M189 WeakPolarHBondContact O-CB 3.25Å; P183-V193 HydrophobicContact CB-CG2 3.77Å; P183-V193 HydrophobicContact CG-CG2 3.94Å
184	E	81.7	Confident	91.8	Very high	43 Å²	43	39 Å²	39	20%	0.201	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-57.7	-24.5	179	65.1	-77	176.5	0	0	113.9	H182 M266	H182-E184 VanDerWaalsContact C-N 3.27Å; H182-E184 WeakPolarHBondContact CA-OE2 3.36Å; H182-E184 WeakPolarHBondContact CB-OE1 3.49Å; H182-E184 IonicContact CG-OE1 2.8Å; H182-E184 IonicContact ND1-OE1 3.05Å; H182-E184 PolarHBondContact O-N 3.37Å; E184-M266 WeakPolarHBondContact O-CE 3.31Å
185	D	78.7	Confident	91.6	Very high	86 Å²	86	37.7 Å²	37.7	46%	0.46	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-97.9	9.8	-177.7	-66.8	-25.5	0	0	0	113.4	K105 P183	K105-D185 WeakPolarHBondContact CD-OD2 3.32Å; K105-D185 VanDerWaalsContact NZ-CB 3.3Å; K105-D185 VanDerWaalsContact NZ-CG 3.32Å; K105-D185 IonicContact NZ-OD2 3.03Å; K105-D185 PolarHBondContact NZ-OD2 3.37Å; P183-D185 PolarHBondContact O-N 3.19Å; P183-D185 VanDerWaalsContact O-N 3.12Å
186	R	87.2	Confident	91.3	Very high	72 Å²	72	33.2 Å²	33.2	27%	0.272	17%	0.174	S	C	.	.			trans	-132.4	114.2	-165.5	-69.3	-63.3	-175.7	-76.9	-12.3	112.5	D179 P183 N188 M189 R190	D179-R186 HydrophobicContact CB-CB 4.45Å; D179-R186 HydrophobicContact CB-CG 3.87Å; D179-R186 VanDerWaalsContact CG-CG 3.48Å; D179-R186 VanDerWaalsContact CG-NE 3.35Å; D179-R186 WeakPolarHBondContact OD1-CD 3.45Å; D179-R186 WeakPolarHBondContact OD1-CG 3.48Å; D179-R186 IonicContact OD1-CZ 2.97Å; D179-R186 IonicContact OD1-NE 2.63Å; D179-R186 PolarHBondContact OD1-NE 2.87Å; D179-R186 IonicContact OD1-NH2 2.82Å; D179-R186 PolarHBondContact OD1-NH2 2.62Å; D179-R186 IonicContact OD2-NE 2.72Å; P183-R186 PolarHBondContact O-N 3.14Å; P183-R186 VanDerWaalsContact O-N 3.12Å; R186-N188 VanDerWaalsContact C-N 3.25Å; R186-N188 PolarHBondContact O-N 3.41Å; R186-M189 HydrophobicContact CB-CB 4.06Å; R186-M189 HydrophobicContact CB-CG 3.56Å; R186-M189 HydrophobicContact CG-CG 4.47Å; R186-M189 WeakPolarHBondContact O-CB 3.41Å; R186-M189 PolarHBondContact O-N 3.31Å; R186-R190 PolarHBondContact O-N 3.08Å
187	P	89.7	Confident	90.7	Very high	115 Å²	115	32.8 Å²	32.8	75%	0.747	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-55.9	-36.2	178.8	-28.5	36	0	0	0	114.3	M189 R190	P187-M189 PolarHBondContact O-N 3.4Å; P187-R190 WeakPolarHBondContact O-CB 3.29Å; P187-R190 PolarHBondContact O-N 3Å
188	N	93.6	Very high	90.5	Very high	58 Å²	58	33.7 Å²	33.7	31%	0.31	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-65.8	-20.5	177	56.3	-63.7	0	0	0	113.4	A163 L166 R186	A163-N188 PolarHBondContact O-ND2 3.16Å; L166-N188 HydrophobicContact CD2-CB 4.27Å; R186-N188 VanDerWaalsContact C-N 3.25Å; R186-N188 PolarHBondContact O-N 3.41Å
189	M	93.9	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-91.7	-13	-179.3	-58	-59.1	-68.8	0	0	113.2	R160 A163 A164 D179 P183 R186 P187 D191 A192 V193	R160-M189 HydrophobicContact CB-CE 3.89Å; R160-M189 HydrophobicContact CG-CE 4.32Å; R160-M189 VanDerWaalsContact O-CE 3.32Å; R160-M189 WeakPolarHBondContact O-CE 3.32Å; A163-M189 HydrophobicContact CB-CE 4.09Å; A163-M189 HydrophobicContact CB-SD 3.66Å; A164-M189 VanDerWaalsContact CA-SD 3.58Å; A164-M189 HydrophobicContact CB-CE 4.02Å; A164-M189 HydrophobicContact CB-SD 3.73Å; A164-M189 PolarHBondContact N-SD 3.38Å; A164-M189 VanDerWaalsContact N-SD 3.39Å; D179-M189 HydrophobicContact CB-CG 4.25Å; D179-M189 HydrophobicContact CB-SD 4.38Å; P183-M189 HydrophobicContact CB-CB 3.43Å; P183-M189 VanDerWaalsContact CB-CB 3.43Å; P183-M189 HydrophobicContact CB-CE 3.72Å; P183-M189 HydrophobicContact CB-CG 3.81Å; P183-M189 WeakPolarHBondContact O-CB 3.25Å; R186-M189 HydrophobicContact CB-CB 4.06Å; R186-M189 HydrophobicContact CB-CG 3.56Å; R186-M189 HydrophobicContact CG-CG 4.47Å; R186-M189 WeakPolarHBondContact O-CB 3.41Å; R186-M189 PolarHBondContact O-N 3.31Å; P187-M189 PolarHBondContact O-N 3.4Å; M189-D191 VanDerWaalsContact C-N 3.34Å; M189-D191 PolarHBondContact O-N 3.21Å; M189-A192 WeakPolarHBondContact O-CB 3.4Å; M189-A192 PolarHBondContact O-N 2.81Å; M189-V193 PolarHBondContact O-N 3.05Å
190	R	91.5	Very high	89.8	Confident	51 Å²	51	39.5 Å²	39.5	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-52.4	-48.5	-171.1	-175.9	-177	-179.8	96.5	-13.7	112.9	R186 P187 A192 V193 I194 G262 E263 M266	R186-R190 PolarHBondContact O-N 3.08Å; P187-R190 WeakPolarHBondContact O-CB 3.29Å; P187-R190 PolarHBondContact O-N 3Å; R190-A192 VanDerWaalsContact C-N 3.27Å; R190-A192 PolarHBondContact O-N 3.35Å; R190-V193 PolarHBondContact O-N 2.97Å; R190-I194 HydrophobicContact CG-CD1 3.83Å; R190-I194 HydrophobicContact CG-CG1 4.39Å; R190-I194 WeakPolarHBondContact O-CG1 3.22Å; R190-I194 PolarHBondContact O-N 3.21Å; R190-G262 VanDerWaalsContact CZ-C 3.45Å; R190-G262 PolarHBondContact NH1-O 3.45Å; R190-G262 PolarHBondContact NH2-O 2.89Å; R190-E263 IonicContact CZ-OE1 2.96Å; R190-E263 IonicContact NH1-OE1 3.04Å; R190-E263 VanDerWaalsContact NH2-N 3.17Å; R190-E263 IonicContact NH2-OE1 3.77Å; R190-E263 PolarHBondContact NH2-OE1 3.33Å; R190-M266 HydrophobicContact CB-CE 4.21Å; R190-M266 HydrophobicContact CB-SD 4.03Å; R190-M266 HydrophobicContact CG-SD 4.05Å; R190-M266 PolarHBondContact NH1-O 3.14Å
191	D	93.7	Very high	89.5	Confident	101 Å²	101	39.3 Å²	39.3	54%	0.54	20%	0.199	S	C	.	.	H	α-helix	trans	-62.6	-35.5	-177.6	-77.8	-32.9	0	0	0	112.6	M189 I194 D195 R258	M189-D191 VanDerWaalsContact C-N 3.34Å; M189-D191 PolarHBondContact O-N 3.21Å; D191-I194 PolarHBondContact O-N 3.13Å; D191-D195 PolarHBondContact O-N 3.45Å; D191-R258 VanDerWaalsContact CG-NH2 3.33Å; D191-R258 PolarHBondContact O-NH2 3.47Å; D191-R258 IonicContact OD1-CZ 2.67Å; D191-R258 IonicContact OD1-NH2 4Å; D191-R258 PolarHBondContact OD1-NH2 3.06Å
192	A	92.5	Very high	89.6	Confident	4 Å²	4	39.1 Å²	39.1	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-39.8	177.4	0	0	0	0	0	112.1	R159 R160 A163 M189 R190 E196	R159-A192 HydrophobicContact CG-CB 3.84Å; R160-A192 HydrophobicContact CG-CB 4.34Å; A163-A192 HydrophobicContact CB-CB 4.02Å; M189-A192 WeakPolarHBondContact O-CB 3.4Å; M189-A192 PolarHBondContact O-N 2.81Å; R190-A192 VanDerWaalsContact C-N 3.27Å; R190-A192 PolarHBondContact O-N 3.35Å; A192-E196 WeakPolarHBondContact O-CB 3.33Å; A192-E196 PolarHBondContact O-N 2.92Å
193	V	89.4	Confident	89.8	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	22%	0.217	C	C	.	.	H	α-helix	trans	-69.9	-38.1	177.3	-171.7	0	0	0	0	110.8	P183 M189 R190 E196 L197 I265 M266	P183-V193 HydrophobicContact CB-CG2 3.77Å; P183-V193 HydrophobicContact CG-CG2 3.94Å; M189-V193 PolarHBondContact O-N 3.05Å; R190-V193 PolarHBondContact O-N 2.97Å; V193-E196 PolarHBondContact O-N 2.73Å; V193-L197 PolarHBondContact O-N 3.41Å; V193-I265 HydrophobicContact CB-CD1 4.23Å; V193-I265 HydrophobicContact CG1-CD1 3.8Å; V193-I265 HydrophobicContact CG1-CG1 4.5Å; V193-M266 HydrophobicContact CB-SD 4.5Å; V193-M266 HydrophobicContact CG2-SD 4.44Å
194	I	91.5	Very high	90.1	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-62.9	-49.4	175.3	-66.4	168.6	0	0	0	111	R190 D191 E196 L197 L198 R258 V261 I265	R190-I194 HydrophobicContact CG-CD1 3.83Å; R190-I194 HydrophobicContact CG-CG1 4.39Å; R190-I194 WeakPolarHBondContact O-CG1 3.22Å; R190-I194 PolarHBondContact O-N 3.21Å; D191-I194 PolarHBondContact O-N 3.13Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.84Å; I194-L197 PolarHBondContact O-N 3.34Å; I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.39Å; I194-L198 WeakPolarHBondContact O-CG 3.46Å; I194-L198 PolarHBondContact O-N 2.87Å; I194-R258 HydrophobicContact CG2-CB 4.48Å; I194-R258 HydrophobicContact CG2-CG 3.9Å; I194-V261 HydrophobicContact CG2-CG1 4.1Å; I194-I265 HydrophobicContact CB-CD1 4.34Å; I194-I265 HydrophobicContact CG1-CD1 3.64Å
195	D	92.7	Very high	90.6	Very high	57 Å²	57	52.6 Å²	52.6	31%	0.305	27%	0.266	S	S	.	.	H	α-helix	trans	-56.7	-44.2	179.3	-79.4	-16.4	0	0	0	111.6	R159 D191 L198 E199 R258	R159-D195 IonicContact NE-OD2 3.22Å; D191-D195 PolarHBondContact O-N 3.45Å; D195-L198 PolarHBondContact O-N 3.27Å; D195-E199 WeakPolarHBondContact O-CG 3.29Å; D195-E199 PolarHBondContact O-N 3.09Å; D195-R258 IonicContact OD1-CZ 2.66Å; D195-R258 IonicContact OD1-NH1 3.41Å; D195-R258 PolarHBondContact OD1-NH1 3.09Å; D195-R258 IonicContact OD1-NH2 3.63Å
196	E	89.5	Confident	91.5	Very high	4 Å²	4	52 Å²	52	2%	0.019	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-42.2	179.8	177.6	172.6	173.5	0	0	112.2	H24 R160 A192 V193 I194 E199 Y200	H24-E196 IonicContact CD2-OE1 3.62Å; H24-E196 PolarHBondContact CD2-OE1 2.88Å; H24-E196 VanDerWaalsContact CE1-CD 3.43Å; H24-E196 WeakPolarHBondContact CE1-CG 3.26Å; H24-E196 IonicContact CE1-OE1 3.81Å; H24-E196 PolarHBondContact CE1-OE1 3.43Å; H24-E196 IonicContact CG-OE1 3.16Å; H24-E196 IonicContact ND1-OE1 3.88Å; H24-E196 PolarHBondContact ND1-OE1 3.39Å; H24-E196 IonicContact NE2-OE1 2.72Å; H24-E196 PolarHBondContact NE2-OE1 2.79Å; H24-E196 VanDerWaalsContact NE2-OE1 3.12Å; R160-E196 IonicContact CZ-OE1 3.64Å; R160-E196 IonicContact CZ-OE2 3.76Å; R160-E196 IonicContact NE-OE1 3.54Å; R160-E196 IonicContact NE-OE2 3.97Å; R160-E196 PolarHBondContact NE-OE2 2.87Å; R160-E196 IonicContact NH2-OE1 2.66Å; R160-E196 PolarHBondContact NH2-OE1 3.26Å; R160-E196 IonicContact NH2-OE2 2.76Å; R160-E196 PolarHBondContact NH2-OE2 2.78Å; A192-E196 WeakPolarHBondContact O-CB 3.33Å; A192-E196 PolarHBondContact O-N 2.92Å; V193-E196 PolarHBondContact O-N 2.73Å; I194-E196 VanDerWaalsContact C-N 3.26Å; I194-E196 PolarHBondContact O-N 2.84Å; E196-E199 PolarHBondContact O-N 3.31Å; E196-Y200 PolarHBondContact O-N 2.94Å
197	L	86.6	Confident	91.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-43.2	174.9	-176.2	70.6	0	0	0	111.4	E26 V193 I194 Y200 V201 V261 W264 I265	E26-L197 HydrophobicContact CG-CD1 3.95Å; V193-L197 PolarHBondContact O-N 3.41Å; I194-L197 PolarHBondContact O-N 3.34Å; L197-Y200 CarbonylContact O-C 3.46Å; L197-Y200 PolarHBondContact O-N 2.81Å; L197-Y200 VanDerWaalsContact O-N 3.09Å; L197-V201 HydrophobicContact CD1-CG2 3.53Å; L197-V201 HydrophobicContact CG-CG2 3.93Å; L197-V201 WeakPolarHBondContact O-CB 3.43Å; L197-V201 WeakPolarHBondContact O-CG2 3.4Å; L197-V201 PolarHBondContact O-N 3.39Å; L197-V261 HydrophobicContact CD2-CG1 3.45Å; L197-V261 VanDerWaalsContact CD2-CG1 3.45Å; L197-V261 HydrophobicContact CG-CG1 4.4Å; L197-W264 HydrophobicContact CD2-CE3 3.84Å; L197-W264 HydrophobicContact CD2-CZ3 3.74Å; L197-I265 HydrophobicContact CD2-CD1 4.5Å; L197-I265 HydrophobicContact CD2-CG2 3.31Å; L197-I265 HydrophobicContact CG-CG2 4.4Å
198	L	91.8	Very high	92.2	Very high	19 Å²	19	48.4 Å²	48.4	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-45.9	178.1	-72.8	171.4	0	0	0	110.8	I194 D195 Y200 V201 D202 V209 R258 V261	I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.39Å; I194-L198 WeakPolarHBondContact O-CG 3.46Å; I194-L198 PolarHBondContact O-N 2.87Å; D195-L198 PolarHBondContact O-N 3.27Å; L198-Y200 PolarHBondContact O-N 3Å; L198-V201 PolarHBondContact O-N 3.39Å; L198-D202 HydrophobicContact CD2-CB 4.29Å; L198-D202 VanDerWaalsContact O-CB 3.25Å; L198-D202 WeakPolarHBondContact O-CB 3.19Å; L198-D202 PolarHBondContact O-N 2.84Å; L198-V209 HydrophobicContact CD2-CG2 3.81Å; L198-R258 HydrophobicContact CD1-CG 3.9Å; L198-V261 HydrophobicContact CD2-CG2 4.26Å
199	E	89.6	Confident	92.3	Very high	81 Å²	81	45.6 Å²	45.6	38%	0.379	23%	0.231	S	C	.	.	H	α-helix	trans	-55.4	-25.8	175.3	-75	174.7	155.2	0	0	113.3	Q155 H156 R159 D195 E196	Q155-E199 PolarHBondContact NE2-OE1 2.89Å; H156-E199 IonicContact CE1-OE2 3.43Å; H156-E199 PolarHBondContact CE1-OE2 3.24Å; H156-E199 IonicContact ND1-OE2 3.65Å; H156-E199 PolarHBondContact ND1-OE2 3.29Å; H156-E199 IonicContact NE2-OE2 3.61Å; R159-E199 IonicContact CZ-OE1 3.39Å; R159-E199 IonicContact CZ-OE2 3.58Å; R159-E199 IonicContact NH1-OE1 3.11Å; R159-E199 IonicContact NH1-OE2 3.62Å; R159-E199 PolarHBondContact NH1-OE2 2.76Å; R159-E199 VanDerWaalsContact NH2-CD 3.27Å; R159-E199 IonicContact NH2-OE1 2.92Å; R159-E199 PolarHBondContact NH2-OE1 3.11Å; R159-E199 IonicContact NH2-OE2 2.6Å; R159-E199 PolarHBondContact NH2-OE2 3.14Å; D195-E199 WeakPolarHBondContact O-CG 3.29Å; D195-E199 PolarHBondContact O-N 3.09Å; E196-E199 PolarHBondContact O-N 3.31Å
200	Y	86.5	Confident	92.4	Very high	75 Å²	75	47.4 Å²	47.4	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-94.1	-41.5	179.4	-173.7	-109.4	0	0	0	114.2	E26 E196 L197 L198 K203 D217 R220	E26-Y200 WeakPolarHBondContact OE1-CB 3.47Å; E26-Y200 WeakPolarHBondContact OE2-CD1 3.48Å; E26-Y200 WeakPolarHBondContact OE2-CE1 3.39Å; E196-Y200 PolarHBondContact O-N 2.94Å; L197-Y200 CarbonylContact O-C 3.46Å; L197-Y200 PolarHBondContact O-N 2.81Å; L197-Y200 VanDerWaalsContact O-N 3.09Å; L198-Y200 PolarHBondContact O-N 3Å; Y200-K203 WeakPolarHBondContact O-CE 2.98Å; Y200-K203 PolarHBondContact O-NZ 3.29Å; Y200-D217 VanDerWaalsContact CE1-OD1 3.31Å; Y200-D217 WeakPolarHBondContact CE1-OD1 3.3Å; Y200-R220 WeakPolarHBondContact OH-CD 3.44Å; Y200-R220 VanDerWaalsContact OH-CZ 3.32Å; Y200-R220 PolarHBondContact OH-NE 3.07Å; Y200-R220 PolarHBondContact OH-NH1 3.12Å
201	V	89.5	Confident	92.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-95.5	-41.3	-170.5	-179.8	0	0	0	0	112	L197 L198 K203 V209 E213 D217	L197-V201 HydrophobicContact CD1-CG2 3.53Å; L197-V201 HydrophobicContact CG-CG2 3.93Å; L197-V201 WeakPolarHBondContact O-CB 3.43Å; L197-V201 WeakPolarHBondContact O-CG2 3.4Å; L197-V201 PolarHBondContact O-N 3.39Å; L198-V201 PolarHBondContact O-N 3.39Å; V201-K203 PolarHBondContact O-N 3.12Å; V201-K203 VanDerWaalsContact O-N 3.1Å; V201-V209 HydrophobicContact CB-CG2 4.33Å; V201-V209 HydrophobicContact CG1-CB 4.41Å; V201-V209 HydrophobicContact CG1-CG1 3.58Å; V201-V209 HydrophobicContact CG1-CG2 3.94Å; V201-E213 HydrophobicContact CG1-CB 4.02Å; V201-D217 HydrophobicContact CG1-CB 4.09Å; V201-D217 HydrophobicContact CG2-CB 4.19Å
202	D	93.4	Very high	92.5	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	25%	0.246	C	C	.	.			trans	-73.7	99	177.3	174.6	4.3	0	0	0	109	L198 D204 N205 D206 G207 Y208	L198-D202 HydrophobicContact CD2-CB 4.29Å; L198-D202 VanDerWaalsContact O-CB 3.25Å; L198-D202 WeakPolarHBondContact O-CB 3.19Å; L198-D202 PolarHBondContact O-N 2.84Å; D202-D204 PolarHBondContact OD1-N 2.84Å; D202-N205 WeakPolarHBondContact OD1-CA 3.18Å; D202-N205 PolarHBondContact OD1-N 2.87Å; D202-N205 WeakPolarHBondContact OD2-CA 3.27Å; D202-D206 PolarHBondContact OD1-N 3.36Å; D202-D206 PolarHBondContact OD2-N 3.39Å; D202-G207 VanDerWaalsContact OD2-CA 3.31Å; D202-G207 WeakPolarHBondContact OD2-CA 3.32Å; D202-G207 PolarHBondContact OD2-N 2.94Å; D202-Y208 WeakPolarHBondContact CB-O 3.49Å
203	K	93	Very high	92.6	Very high	119 Å²	119	49.1 Å²	49.1	52%	0.517	25%	0.248	S	C	.	.	S	Bend	trans	-85.9	-29.1	-174	-66.9	-47.6	-171.4	-170.7	0	112.4	Y200 V201 N205 E213	Y200-K203 WeakPolarHBondContact O-CE 2.98Å; Y200-K203 PolarHBondContact O-NZ 3.29Å; V201-K203 PolarHBondContact O-N 3.12Å; V201-K203 VanDerWaalsContact O-N 3.1Å; K203-N205 PolarHBondContact O-ND2 2.79Å; K203-E213 PolarHBondContact N-OE1 3.16Å
204	D	95.1	Very high	92.6	Very high	105 Å²	105	48.6 Å²	48.6	56%	0.561	24%	0.244	S	C	*	.	S	Bend	trans	-91.2	-5.2	177.9	68.4	16.3	0	0	0	113.5	D202 D206	D202-D204 PolarHBondContact OD1-N 2.84Å; D204-D206 VanDerWaalsContact C-N 3.31Å; D204-D206 WeakPolarHBondContact OD1-CB 3.3Å; D204-D206 PolarHBondContact OD1-N 3.01Å
205	N	94.2	Very high	92.5	Very high	125 Å²	125	48.4 Å²	48.4	67%	0.668	24%	0.243	S	C	*	.			trans	59.6	37.5	178.2	-58	-98.4	0	0	0	112.3	D202 K203 G207	D202-N205 WeakPolarHBondContact OD1-CA 3.18Å; D202-N205 PolarHBondContact OD1-N 2.87Å; D202-N205 WeakPolarHBondContact OD2-CA 3.27Å; K203-N205 PolarHBondContact O-ND2 2.79Å; N205-G207 VanDerWaalsContact C-N 3.3Å
206	D	96.5	Very high	92.3	Very high	75 Å²	75	47.8 Å²	47.8	40%	0.401	24%	0.242	S	C	.	.	S	Bend	trans	-83.5	-6.9	176.2	88	-14.2	0	0	0	113.5	D202 D204 Y208 R255	D202-D206 PolarHBondContact OD1-N 3.36Å; D202-D206 PolarHBondContact OD2-N 3.39Å; D204-D206 VanDerWaalsContact C-N 3.31Å; D204-D206 WeakPolarHBondContact OD1-CB 3.3Å; D204-D206 PolarHBondContact OD1-N 3.01Å; D206-Y208 WeakPolarHBondContact O-CD2 3.25Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.33Å; D206-Y208 VanDerWaalsContact OD1-CB 3.32Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.43Å; D206-Y208 PolarHBondContact OD1-N 3.2Å; D206-R255 IonicContact OD2-NH1 3.84Å
207	G	94.7	Very high	92.1	Very high	36 Å²	36	47.8 Å²	47.8	37%	0.371	24%	0.242	S	C	.	.	S	Bend	trans	88.8	6.1	179.8	0	0	0	0	0	114.2	D202 N205	D202-G207 VanDerWaalsContact OD2-CA 3.31Å; D202-G207 WeakPolarHBondContact OD2-CA 3.32Å; D202-G207 PolarHBondContact OD2-N 2.94Å; N205-G207 VanDerWaalsContact C-N 3.3Å
208	Y	97	Very high	91.9	Very high	74 Å²	74	47.8 Å²	47.8	29%	0.29	24%	0.242	S	C	.	.	S	Bend	trans	-124.1	165.6	179.3	-58.2	-92.5	0	0	0	110.5	D202 D206 R255 M256 D257	D202-Y208 WeakPolarHBondContact CB-O 3.49Å; D206-Y208 WeakPolarHBondContact O-CD2 3.25Å; D206-Y208 WeakPolarHBondContact OD1-CA 3.33Å; D206-Y208 VanDerWaalsContact OD1-CB 3.32Å; D206-Y208 WeakPolarHBondContact OD1-CB 3.43Å; D206-Y208 PolarHBondContact OD1-N 3.2Å; Y208-R255 HydrophobicContact CD1-CG 3.97Å; Y208-R255 HydrophobicContact CG-CG 4.22Å; Y208-M256 CarbonylContact C-O 3.56Å; Y208-M256 VanDerWaalsContact CA-O 3.31Å; Y208-M256 WeakPolarHBondContact CA-O 3.17Å; Y208-D257 HydrophobicContact CD1-CB 4Å; Y208-D257 HydrophobicContact CE1-CB 3.9Å
209	V	95.5	Very high	91.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.4	167.9	177.4	0	0	0	0	108.8	L198 V201 E213 R255 M256 V261	L198-V209 HydrophobicContact CD2-CG2 3.81Å; V201-V209 HydrophobicContact CB-CG2 4.33Å; V201-V209 HydrophobicContact CG1-CB 4.41Å; V201-V209 HydrophobicContact CG1-CG1 3.58Å; V201-V209 HydrophobicContact CG1-CG2 3.94Å; V209-E213 HydrophobicContact CG1-CB 4.03Å; V209-R255 CarbonylContact O-C 3.32Å; V209-R255 WeakPolarHBondContact O-CA 3.32Å; V209-M256 HydrophobicContact CB-CB 4.25Å; V209-M256 HydrophobicContact CB-CE 3.6Å; V209-M256 HydrophobicContact CG1-CE 3.42Å; V209-M256 VanDerWaalsContact CG1-CE 3.42Å; V209-M256 HydrophobicContact CG2-CE 4.34Å; V209-M256 PolarHBondContact N-O 3.13Å; V209-M256 PolarHBondContact O-N 3.49Å; V209-V261 HydrophobicContact CB-CG2 4.36Å; V209-V261 HydrophobicContact CG2-CG2 3.82Å
210	S	96.3	Very high	90.9	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	158.6	174.2	66.3	0	0	0	0	111.9	K212 E213 Y214	S210-K212 PolarHBondContact O-N 3.15Å; S210-K212 VanDerWaalsContact O-N 3.14Å; S210-E213 WeakPolarHBondContact CB-OE2 3.16Å; S210-E213 PolarHBondContact N-OE2 2.76Å; S210-E213 PolarHBondContact O-N 3.18Å; S210-E213 VanDerWaalsContact OG-CD 3.31Å; S210-E213 WeakPolarHBondContact OG-CG 3.43Å; S210-E213 PolarHBondContact OG-N 2.96Å; S210-E213 PolarHBondContact OG-OE2 2.87Å; S210-Y214 PolarHBondContact O-N 2.95Å
211	E	94.4	Very high	90.2	Very high	34 Å²	34	46.6 Å²	46.6	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-51.8	-37.4	172.3	-177.9	-178.8	104.9	0	0	111.7	L215 R241 F244 R245	E211-L215 HydrophobicContact CG-CD1 4.16Å; E211-L215 WeakPolarHBondContact O-CB 3.21Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.35Å; E211-L215 PolarHBondContact O-N 3.43Å; E211-L215 VanDerWaalsContact O-N 3.07Å; E211-R241 HydrophobicContact CG-CG 4.1Å; E211-R241 WeakPolarHBondContact OE1-CD 3.38Å; E211-R241 VanDerWaalsContact OE1-CG 3.3Å; E211-R241 WeakPolarHBondContact OE1-CG 3.49Å; E211-R241 IonicContact OE1-CZ 3.92Å; E211-R241 IonicContact OE1-NE 3.01Å; E211-R241 IonicContact OE1-NH1 3.94Å; E211-R241 PolarHBondContact OE1-NH1 3.12Å; E211-F244 HydrophobicContact CB-CD1 4.01Å; E211-F244 HydrophobicContact CB-CE1 3.85Å; E211-F244 HydrophobicContact CB-CZ 4.2Å; E211-F244 HydrophobicContact CG-CD1 4.11Å; E211-F244 HydrophobicContact CG-CE1 4.46Å; E211-F244 HydrophobicContact CG-CG 4.41Å; E211-R245 IonicContact OE1-CZ 3.39Å; E211-R245 IonicContact OE1-NH2 3.8Å; E211-R245 PolarHBondContact OE1-NH2 2.96Å; E211-R245 IonicContact OE2-CZ 2.7Å; E211-R245 VanDerWaalsContact OE2-CZ 3.22Å; E211-R245 IonicContact OE2-NE 2.68Å; E211-R245 PolarHBondContact OE2-NE 3.27Å; E211-R245 IonicContact OE2-NH2 3.67Å; E211-R245 PolarHBondContact OE2-NH2 3.33Å
212	K	93.5	Very high	89.3	Confident	141 Å²	141	49.2 Å²	49.2	61%	0.613	25%	0.253	S	S	*	.	H	α-helix	trans	-67	-46.4	178.3	-176.1	178.2	178.6	179.3	0	111.5	S210 L215 V216 F227	S210-K212 PolarHBondContact O-N 3.15Å; S210-K212 VanDerWaalsContact O-N 3.14Å; K212-L215 PolarHBondContact O-N 2.56Å; K212-V216 HydrophobicContact CG-CG2 4.42Å; K212-V216 WeakPolarHBondContact O-CG2 3.19Å; K212-V216 PolarHBondContact O-N 3.44Å; K212-F227 HydrophobicContact CG-CE2 4.06Å
213	E	93.1	Very high	88.3	Confident	17 Å²	17	57.6 Å²	57.6	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-64.6	-43	179.8	-74	160.8	142.6	0	0	111.7	V201 K203 V209 S210 L215 V216 D217	V201-E213 HydrophobicContact CG1-CB 4.02Å; K203-E213 PolarHBondContact N-OE1 3.16Å; V209-E213 HydrophobicContact CG1-CB 4.03Å; S210-E213 WeakPolarHBondContact CB-OE2 3.16Å; S210-E213 PolarHBondContact N-OE2 2.76Å; S210-E213 PolarHBondContact O-N 3.18Å; S210-E213 VanDerWaalsContact OG-CD 3.31Å; S210-E213 WeakPolarHBondContact OG-CG 3.43Å; S210-E213 PolarHBondContact OG-N 2.96Å; S210-E213 PolarHBondContact OG-OE2 2.87Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 2.96Å; E213-V216 PolarHBondContact O-N 3.05Å; E213-D217 WeakPolarHBondContact O-CB 3.43Å; E213-D217 PolarHBondContact O-N 3.36Å
214	Y	90.8	Very high	87.3	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-52.6	-50.5	171.4	172.5	-105.6	0	0	0	111.8	S210 D217 L218 E240 F244 R248 M256 W264	S210-Y214 PolarHBondContact O-N 2.95Å; Y214-D217 PolarHBondContact O-N 2.94Å; Y214-L218 HydrophobicContact CD1-CD1 4Å; Y214-L218 HydrophobicContact CD2-CD1 4.4Å; Y214-L218 HydrophobicContact CE1-CD1 3.38Å; Y214-L218 HydrophobicContact CE1-CG 4.46Å; Y214-L218 HydrophobicContact CE2-CD1 3.87Å; Y214-L218 HydrophobicContact CE2-CG 4.27Å; Y214-L218 HydrophobicContact CG-CD1 4.47Å; Y214-L218 WeakPolarHBondContact O-CG 3.36Å; Y214-L218 PolarHBondContact O-N 3.11Å; Y214-E240 HydrophobicContact CE1-CB 4.13Å; Y214-E240 PolarHBondContact OH-OE2 3.44Å; Y214-E240 VanDerWaalsContact OH-OE2 3.06Å; Y214-F244 HydrophobicContact CD1-CB 3.97Å; Y214-F244 AromaticContact CD1-CD2 3.49Å; Y214-F244 HydrophobicContact CD1-CD2 3.49Å; Y214-F244 VanDerWaalsContact CD1-CD2 3.49Å; Y214-F244 HydrophobicContact CD1-CE2 4.36Å; Y214-F244 HydrophobicContact CD1-CG 4.1Å; Y214-F244 HydrophobicContact CD2-CD2 4.11Å; Y214-F244 HydrophobicContact CE1-CB 3.89Å; Y214-F244 HydrophobicContact CE1-CD2 4.04Å; Y214-F244 HydrophobicContact CE1-CG 4.45Å; Y214-F244 AromaticContact CG-CD2 3.52Å; Y214-F244 HydrophobicContact CG-CD2 3.52Å; Y214-F244 HydrophobicContact CG-CE2 4.02Å; Y214-R248 HydrophobicContact CE2-CG 4.46Å; Y214-M256 HydrophobicContact CD2-CE 3.96Å; Y214-M256 HydrophobicContact CG-CE 4.48Å; Y214-W264 AromaticContact CD2-CH2 3.62Å; Y214-W264 HydrophobicContact CD2-CH2 3.62Å; Y214-W264 AromaticContact CD2-CZ2 3.58Å; Y214-W264 HydrophobicContact CD2-CZ2 3.58Å; Y214-W264 HydrophobicContact CD2-CZ3 4.12Å; Y214-W264 HydrophobicContact CE2-CD2 4.37Å; Y214-W264 AromaticContact CE2-CE2 3.69Å; Y214-W264 HydrophobicContact CE2-CH2 4.05Å; Y214-W264 AromaticContact CE2-CZ2 3.5Å; Y214-W264 HydrophobicContact CE2-CZ2 3.5Å; Y214-W264 VanDerWaalsContact CE2-CZ2 3.5Å
215	L	89	Confident	86.1	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-39.5	179.9	-70	172.1	0	0	0	113.1	E211 K212 E213 D217 L218 A219 F227 W236 V237 E240	E211-L215 HydrophobicContact CG-CD1 4.16Å; E211-L215 WeakPolarHBondContact O-CB 3.21Å; E211-L215 VanDerWaalsContact O-CG 3.23Å; E211-L215 WeakPolarHBondContact O-CG 3.35Å; E211-L215 PolarHBondContact O-N 3.43Å; E211-L215 VanDerWaalsContact O-N 3.07Å; K212-L215 PolarHBondContact O-N 2.56Å; E213-L215 VanDerWaalsContact C-N 3.34Å; E213-L215 PolarHBondContact O-N 2.96Å; L215-D217 PolarHBondContact O-N 2.65Å; L215-L218 PolarHBondContact O-N 3.32Å; L215-A219 WeakPolarHBondContact O-CB 3.44Å; L215-A219 PolarHBondContact O-N 2.91Å; L215-F227 HydrophobicContact CB-CE2 4.19Å; L215-F227 HydrophobicContact CB-CZ 3.67Å; L215-F227 HydrophobicContact CD1-CE1 4.41Å; L215-F227 HydrophobicContact CD1-CZ 3.91Å; L215-F227 HydrophobicContact CG-CZ 4.46Å; L215-W236 HydrophobicContact CD2-CZ3 4.06Å; L215-V237 HydrophobicContact CD1-CG1 4.07Å; L215-V237 HydrophobicContact CD2-CG1 4.27Å; L215-E240 HydrophobicContact CD2-CB 3.67Å
216	V	88	Confident	84.6	Confident	45 Å²	45	48.5 Å²	48.5	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-59.5	-42.4	174.7	167.7	0	0	0	0	110.4	K212 E213 A219 R220 P226 F227	K212-V216 HydrophobicContact CG-CG2 4.42Å; K212-V216 WeakPolarHBondContact O-CG2 3.19Å; K212-V216 PolarHBondContact O-N 3.44Å; E213-V216 PolarHBondContact O-N 3.05Å; V216-A219 PolarHBondContact O-N 3.38Å; V216-R220 PolarHBondContact O-N 3.45Å; V216-P226 HydrophobicContact CG2-CG 4.21Å; V216-F227 HydrophobicContact CG2-CD2 3.95Å; V216-F227 HydrophobicContact CG2-CE2 3.65Å
217	D	84.8	Confident	83.3	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.021	25%	0.254	C	S	.	.	H	α-helix	trans	-70.2	-43.7	-177.2	177.9	72.9	0	0	0	112.2	R30 Y200 V201 E213 Y214 L215 A219 R220 A221	R30-D217 IonicContact CZ-OD2 3.88Å; R30-D217 IonicContact NH1-OD1 3.97Å; R30-D217 IonicContact NH1-OD2 2.99Å; R30-D217 PolarHBondContact NH1-OD2 3.38Å; R30-D217 IonicContact NH2-OD2 2.69Å; R30-D217 PolarHBondContact NH2-OD2 2.74Å; Y200-D217 VanDerWaalsContact CE1-OD1 3.31Å; Y200-D217 WeakPolarHBondContact CE1-OD1 3.3Å; V201-D217 HydrophobicContact CG1-CB 4.09Å; V201-D217 HydrophobicContact CG2-CB 4.19Å; E213-D217 WeakPolarHBondContact O-CB 3.43Å; E213-D217 PolarHBondContact O-N 3.36Å; Y214-D217 PolarHBondContact O-N 2.94Å; L215-D217 PolarHBondContact O-N 2.65Å; D217-A219 VanDerWaalsContact C-N 3.34Å; D217-A219 PolarHBondContact O-N 2.83Å; D217-R220 WeakPolarHBondContact O-CB 3.49Å; D217-R220 PolarHBondContact O-N 2.61Å; D217-R220 VanDerWaalsContact O-N 3.14Å; D217-R220 IonicContact OD1-CZ 3.2Å; D217-R220 IonicContact OD1-NH1 3.59Å; D217-R220 PolarHBondContact OD1-NH1 3.48Å; D217-A221 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-N 3.11Å
218	L	82.9	Confident	82.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-40.4	170.3	-76.9	178	0	0	0	113.3	E34 Y214 L215 R220 A221 Y222 W236 E240	E34-L218 VanDerWaalsContact CD-CD2 3.42Å; E34-L218 HydrophobicContact CG-CD2 4.44Å; E34-L218 WeakPolarHBondContact OE1-CD2 3.18Å; Y214-L218 HydrophobicContact CD1-CD1 4Å; Y214-L218 HydrophobicContact CD2-CD1 4.4Å; Y214-L218 HydrophobicContact CE1-CD1 3.38Å; Y214-L218 HydrophobicContact CE1-CG 4.46Å; Y214-L218 HydrophobicContact CE2-CD1 3.87Å; Y214-L218 HydrophobicContact CE2-CG 4.27Å; Y214-L218 HydrophobicContact CG-CD1 4.47Å; Y214-L218 WeakPolarHBondContact O-CG 3.36Å; Y214-L218 PolarHBondContact O-N 3.11Å; L215-L218 PolarHBondContact O-N 3.32Å; L218-R220 PolarHBondContact O-N 3.45Å; L218-A221 WeakPolarHBondContact O-CB 3.37Å; L218-A221 PolarHBondContact O-N 3.22Å; L218-A221 VanDerWaalsContact O-N 3.09Å; L218-Y222 HydrophobicContact CB-CE2 4.33Å; L218-Y222 WeakPolarHBondContact O-CB 3.45Å; L218-Y222 PolarHBondContact O-N 2.81Å; L218-W236 HydrophobicContact CB-CH2 4.25Å; L218-W236 HydrophobicContact CB-CZ3 3.94Å; L218-W236 HydrophobicContact CD1-CZ3 4.47Å; L218-E240 HydrophobicContact CD1-CB 3.81Å; L218-E240 HydrophobicContact CD1-CG 3.66Å; L218-E240 WeakPolarHBondContact CD1-OE2 3.47Å
219	A	82	Confident	80.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.3	-37	176.7	0	0	0	0	0	111.6	L215 V216 D217 Y222 Q223 S224 P226 W236	L215-A219 WeakPolarHBondContact O-CB 3.44Å; L215-A219 PolarHBondContact O-N 2.91Å; V216-A219 PolarHBondContact O-N 3.38Å; D217-A219 VanDerWaalsContact C-N 3.34Å; D217-A219 PolarHBondContact O-N 2.83Å; A219-Y222 CarbonylContact O-C 3.38Å; A219-Y222 PolarHBondContact O-N 2.98Å; A219-Q223 PolarHBondContact O-N 2.77Å; A219-S224 CarbonylContact C-O 3.58Å; A219-S224 WeakPolarHBondContact CB-O 3.42Å; A219-S224 PolarHBondContact O-N 3.06Å; A219-S224 VanDerWaalsContact O-O 3.06Å; A219-P226 HydrophobicContact CB-CB 3.36Å; A219-P226 HydrophobicContact CB-CG 3.65Å; A219-W236 HydrophobicContact CB-CH2 3.65Å; A219-W236 HydrophobicContact CB-CZ2 3.58Å
220	R	79	Confident	80.1	Confident	97 Å²	97	63.4 Å²	63.4	37%	0.366	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-43.7	174.2	-164.4	-171.2	-54.7	105.5	4.2	111.7	Y200 V216 D217 L218 Y222 Q223	Y200-R220 WeakPolarHBondContact OH-CD 3.44Å; Y200-R220 VanDerWaalsContact OH-CZ 3.32Å; Y200-R220 PolarHBondContact OH-NE 3.07Å; Y200-R220 PolarHBondContact OH-NH1 3.12Å; V216-R220 PolarHBondContact O-N 3.45Å; D217-R220 WeakPolarHBondContact O-CB 3.49Å; D217-R220 PolarHBondContact O-N 2.61Å; D217-R220 VanDerWaalsContact O-N 3.14Å; D217-R220 IonicContact OD1-CZ 3.2Å; D217-R220 IonicContact OD1-NH1 3.59Å; D217-R220 PolarHBondContact OD1-NH1 3.48Å; L218-R220 PolarHBondContact O-N 3.45Å; R220-Y222 VanDerWaalsContact C-N 3.34Å; R220-Q223 PolarHBondContact O-N 2.56Å; R220-Q223 VanDerWaalsContact O-N 3.14Å
221	A	70.7	Confident	79.3	Confident	53 Å²	53	67.2 Å²	67.2	44%	0.438	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-42.3	176	0	0	0	0	0	111.7	D217 L218 Q223	D217-A221 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-N 3.11Å; L218-A221 WeakPolarHBondContact O-CB 3.37Å; L218-A221 PolarHBondContact O-N 3.22Å; L218-A221 VanDerWaalsContact O-N 3.09Å; A221-Q223 PolarHBondContact O-N 3.09Å
222	Y	71.2	Confident	78.7	Confident	58 Å²	58	71.3 Å²	71.3	23%	0.227	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.9	175.8	-62	-19.2	0	0	0	114	L218 A219 R220 S224 W236 E240	L218-Y222 HydrophobicContact CB-CE2 4.33Å; L218-Y222 WeakPolarHBondContact O-CB 3.45Å; L218-Y222 PolarHBondContact O-N 2.81Å; A219-Y222 CarbonylContact O-C 3.38Å; A219-Y222 PolarHBondContact O-N 2.98Å; R220-Y222 VanDerWaalsContact C-N 3.34Å; Y222-S224 PolarHBondContact O-N 2.97Å; Y222-S224 VanDerWaalsContact O-N 3.14Å; Y222-W236 AromaticContact CD2-CD2 3.72Å; Y222-W236 HydrophobicContact CD2-CD2 3.72Å; Y222-W236 AromaticContact CD2-CE3 3.74Å; Y222-W236 HydrophobicContact CD2-CE3 3.74Å; Y222-W236 HydrophobicContact CD2-CG 4.21Å; Y222-W236 HydrophobicContact CD2-CH2 4.4Å; Y222-W236 HydrophobicContact CD2-CZ2 4.38Å; Y222-W236 HydrophobicContact CD2-CZ3 4.08Å; Y222-W236 AromaticContact CE2-CD2 3.99Å; Y222-W236 HydrophobicContact CE2-CD2 3.99Å; Y222-W236 AromaticContact CE2-CE3 3.64Å; Y222-W236 HydrophobicContact CE2-CE3 3.64Å; Y222-W236 HydrophobicContact CE2-CG 4.45Å; Y222-W236 HydrophobicContact CE2-CZ3 4.1Å; Y222-E240 HydrophobicContact CE2-CG 4.29Å; Y222-E240 PolarHBondContact OH-OE1 3.14Å
223	Q	71.6	Confident	78.2	Confident	187 Å²	187	69.2 Å²	69.2	87%	0.874	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	33.7	-175.1	-55.1	178.1	10.5	0	0	112.8	A219 R220 A221	A219-Q223 PolarHBondContact O-N 2.77Å; R220-Q223 PolarHBondContact O-N 2.56Å; R220-Q223 VanDerWaalsContact O-N 3.14Å; A221-Q223 PolarHBondContact O-N 3.09Å
224	S	73.5	Confident	77.7	Confident	37 Å²	37	70.5 Å²	70.5	26%	0.259	37%	0.368	S	S	.	.			trans	-107	155.1	-179.1	-172.6	0	0	0	0	110.4	A219 Y222 W236	A219-S224 CarbonylContact C-O 3.58Å; A219-S224 WeakPolarHBondContact CB-O 3.42Å; A219-S224 PolarHBondContact O-N 3.06Å; A219-S224 VanDerWaalsContact O-O 3.06Å; Y222-S224 PolarHBondContact O-N 2.97Å; Y222-S224 VanDerWaalsContact O-N 3.14Å; S224-W236 PolarHBondContact OG-NE1 3.37Å
225	T	70	Confident	77.3	Confident	91 Å²	91	79.1 Å²	79.1	56%	0.558	41%	0.409	S	S	*	.			trans	-80.6	125.9	161.5	44.7	0	0	0	0	108.4
226	P	62.3	Low	76.9	Confident	30 Å²	30	80 Å²	80	20%	0.195	41%	0.412	C	S	.	.	S	Bend	trans	-76.9	-41.8	-176.8	20.9	-25.4	0	0	0	112.6	V216 A219	V216-P226 HydrophobicContact CG2-CG 4.21Å; A219-P226 HydrophobicContact CB-CB 3.36Å; A219-P226 HydrophobicContact CB-CG 3.65Å
227	F	68.8	Low	76.9	Confident	78 Å²	78	77.9 Å²	77.9	34%	0.342	40%	0.399	S	S	.	.			trans	-144.7	93.3	-167	-54.5	-64.9	0	0	0	109.7	K212 L215 V216 V237	K212-F227 HydrophobicContact CG-CE2 4.06Å; L215-F227 HydrophobicContact CB-CE2 4.19Å; L215-F227 HydrophobicContact CB-CZ 3.67Å; L215-F227 HydrophobicContact CD1-CE1 4.41Å; L215-F227 HydrophobicContact CD1-CZ 3.91Å; L215-F227 HydrophobicContact CG-CZ 4.46Å; V216-F227 HydrophobicContact CG2-CD2 3.95Å; V216-F227 HydrophobicContact CG2-CE2 3.65Å; F227-V237 HydrophobicContact CE1-CG1 4.44Å
228	D	71.4	Confident	77	Confident	73 Å²	73	83.1 Å²	83.1	39%	0.39	42%	0.424	S	S	.	.			trans	-102.6	120.9	158.7	-169.4	-32.9	0	0	0	107.3	N230 E231	D228-N230 PolarHBondContact O-N 2.94Å; D228-N230 WeakPolarHBondContact OD1-CB 3.07Å; D228-N230 PolarHBondContact OD1-N 3.42Å; D228-N230 PolarHBondContact OD1-ND2 3.1Å; D228-E231 HydrophobicContact CB-CB 4.07Å; D228-E231 HydrophobicContact CB-CG 4.07Å; D228-E231 PolarHBondContact O-N 3.19Å; D228-E231 VanDerWaalsContact O-N 3.08Å; D228-E231 VanDerWaalsContact O-O 3.07Å
229	E	70.4	Confident	77	Confident	200 Å²	200	86.3 Å²	86.3	94%	0.935	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.1	180	-65.4	-176.6	173.8	0	0	112.9
230	N	79.5	Confident	77.2	Confident	147 Å²	147	86.5 Å²	86.5	79%	0.786	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-6.4	-179.1	-52	-72.9	0	0	0	113.4	D228	D228-N230 PolarHBondContact O-N 2.94Å; D228-N230 WeakPolarHBondContact OD1-CB 3.07Å; D228-N230 PolarHBondContact OD1-N 3.42Å; D228-N230 PolarHBondContact OD1-ND2 3.1Å
231	E	78.9	Confident	77.8	Confident	118 Å²	118	83.7 Å²	83.7	55%	0.551	43%	0.426	S	S	*	.	S	Bend	trans	-115.6	144.2	-179.9	-59.5	-166.1	159.3	0	0	110.9	D228 E233	D228-E231 HydrophobicContact CB-CB 4.07Å; D228-E231 HydrophobicContact CB-CG 4.07Å; D228-E231 PolarHBondContact O-N 3.19Å; D228-E231 VanDerWaalsContact O-N 3.08Å; D228-E231 VanDerWaalsContact O-O 3.07Å; E231-E233 PolarHBondContact O-N 3.11Å
232	P	80.5	Confident	78.6	Confident	120 Å²	120	83.2 Å²	83.2	78%	0.779	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-60.6	138	171.4	26	-32.5	0	0	0	110.2
233	E	84	Confident	79.3	Confident	97 Å²	97	82.3 Å²	82.3	45%	0.453	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-56	134.1	175.4	-70.4	-168.9	158.1	0	0	110	E231 V237 R241	E231-E233 PolarHBondContact O-N 3.11Å; E233-V237 HydrophobicContact CB-CB 4.36Å; E233-V237 HydrophobicContact CB-CG1 4.48Å; E233-R241 IonicContact OE1-NH2 2.76Å; E233-R241 PolarHBondContact OE1-NH2 3.34Å; E233-R241 IonicContact OE2-NH2 2.88Å; E233-R241 PolarHBondContact OE2-NH2 2.91Å
234	P	82.6	Confident	80.1	Confident	43 Å²	43	73.4 Å²	73.4	28%	0.279	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-57.9	149	174.3	-25.8	33.2	0	0	0	112.6	W236 V237	P234-W236 HydrophobicContact CB-CG 4.16Å; P234-W236 PolarHBondContact O-N 3.06Å; P234-W236 VanDerWaalsContact O-N 3.07Å; P234-V237 HydrophobicContact CB-CG2 4.21Å; P234-V237 HydrophobicContact CG-CG2 4.24Å; P234-V237 WeakPolarHBondContact O-CB 3.48Å; P234-V237 PolarHBondContact O-N 3.21Å
235	E	81.6	Confident	81	Confident	184 Å²	184	77.5 Å²	77.5	86%	0.86	39%	0.385	S	S	*	.	H	α-helix	trans	-56.9	-30.2	-179.9	-66.6	-174.3	165.7	0	0	113.4	V237	E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.31Å
236	W	81.1	Confident	81.8	Confident	19 Å²	19	81.5 Å²	81.5	7%	0.072	39%	0.39	C	S	.	.	H	α-helix	trans	-64.3	-32.3	177	75.1	-104.2	0	0	0	111.8	L215 L218 A219 Y222 S224 P234 E238 R239 E240	L215-W236 HydrophobicContact CD2-CZ3 4.06Å; L218-W236 HydrophobicContact CB-CH2 4.25Å; L218-W236 HydrophobicContact CB-CZ3 3.94Å; L218-W236 HydrophobicContact CD1-CZ3 4.47Å; A219-W236 HydrophobicContact CB-CH2 3.65Å; A219-W236 HydrophobicContact CB-CZ2 3.58Å; Y222-W236 AromaticContact CD2-CD2 3.72Å; Y222-W236 HydrophobicContact CD2-CD2 3.72Å; Y222-W236 AromaticContact CD2-CE3 3.74Å; Y222-W236 HydrophobicContact CD2-CE3 3.74Å; Y222-W236 HydrophobicContact CD2-CG 4.21Å; Y222-W236 HydrophobicContact CD2-CH2 4.4Å; Y222-W236 HydrophobicContact CD2-CZ2 4.38Å; Y222-W236 HydrophobicContact CD2-CZ3 4.08Å; Y222-W236 AromaticContact CE2-CD2 3.99Å; Y222-W236 HydrophobicContact CE2-CD2 3.99Å; Y222-W236 AromaticContact CE2-CE3 3.64Å; Y222-W236 HydrophobicContact CE2-CE3 3.64Å; Y222-W236 HydrophobicContact CE2-CG 4.45Å; Y222-W236 HydrophobicContact CE2-CZ3 4.1Å; S224-W236 PolarHBondContact OG-NE1 3.37Å; P234-W236 HydrophobicContact CB-CG 4.16Å; P234-W236 PolarHBondContact O-N 3.06Å; P234-W236 VanDerWaalsContact O-N 3.07Å; W236-E238 PolarHBondContact O-N 3.21Å; W236-R239 WeakPolarHBondContact O-CB 3.19Å; W236-R239 PolarHBondContact O-N 2.88Å; W236-E240 HydrophobicContact CE3-CB 4.19Å; W236-E240 HydrophobicContact CE3-CG 3.56Å; W236-E240 HydrophobicContact CZ3-CB 4.27Å; W236-E240 HydrophobicContact CZ3-CG 3.96Å; W236-E240 VanDerWaalsContact O-CG 3.28Å; W236-E240 WeakPolarHBondContact O-CG 3.49Å; W236-E240 PolarHBondContact O-N 3.21Å
237	V	87.9	Confident	82.9	Confident	0 Å²	0	86 Å²	86	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-62.5	-49	-175.8	175.8	0	0	0	0	110.9	L215 F227 E233 P234 E235 R239 E240 R241	L215-V237 HydrophobicContact CD1-CG1 4.07Å; L215-V237 HydrophobicContact CD2-CG1 4.27Å; F227-V237 HydrophobicContact CE1-CG1 4.44Å; E233-V237 HydrophobicContact CB-CB 4.36Å; E233-V237 HydrophobicContact CB-CG1 4.48Å; P234-V237 HydrophobicContact CB-CG2 4.21Å; P234-V237 HydrophobicContact CG-CG2 4.24Å; P234-V237 WeakPolarHBondContact O-CB 3.48Å; P234-V237 PolarHBondContact O-N 3.21Å; E235-V237 VanDerWaalsContact C-N 3.26Å; E235-V237 PolarHBondContact O-N 3.31Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.93Å; V237-E240 PolarHBondContact O-N 2.93Å; V237-R241 VanDerWaalsContact O-CB 3.27Å; V237-R241 WeakPolarHBondContact O-CB 3.07Å; V237-R241 PolarHBondContact O-N 3.49Å
238	E	86.5	Confident	83.9	Confident	114 Å²	114	84.2 Å²	84.2	53%	0.533	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-34.6	-179.8	-176.6	58.6	-163.9	0	0	111.9	W236 R241 S242	W236-E238 PolarHBondContact O-N 3.21Å; E238-R241 IonicContact OE2-NE 2.63Å; E238-S242 PolarHBondContact O-N 2.96Å
239	R	83.9	Confident	84.9	Confident	66 Å²	66	81.1 Å²	81.1	25%	0.249	38%	0.381	C	S	.	.	H	α-helix	trans	-63.6	-50.6	174.2	-172.8	-170	68.3	-125	-4.4	111.2	D38 W236 V237 R241 S242 Q243	D38-R239 VanDerWaalsContact CB-NE 3.34Å; D38-R239 VanDerWaalsContact CG-CD 3.49Å; D38-R239 VanDerWaalsContact CG-NE 3.27Å; D38-R239 WeakPolarHBondContact OD2-CD 3.32Å; D38-R239 IonicContact OD2-CZ 2.77Å; D38-R239 IonicContact OD2-NE 2.56Å; D38-R239 PolarHBondContact OD2-NE 3.02Å; W236-R239 WeakPolarHBondContact O-CB 3.19Å; W236-R239 PolarHBondContact O-N 2.88Å; V237-R239 VanDerWaalsContact C-N 3.29Å; V237-R239 PolarHBondContact O-N 2.93Å; R239-R241 VanDerWaalsContact C-N 3.31Å; R239-R241 PolarHBondContact O-N 3.49Å; R239-S242 WeakPolarHBondContact O-CA 3.08Å; R239-S242 VanDerWaalsContact O-CB 3.29Å; R239-S242 WeakPolarHBondContact O-CB 3.49Å; R239-S242 PolarHBondContact O-N 2.76Å; R239-S242 VanDerWaalsContact O-N 3.1Å; R239-Q243 WeakPolarHBondContact O-CG 3.35Å; R239-Q243 PolarHBondContact O-N 3.07Å
240	E	85.9	Confident	85.9	Confident	5 Å²	5	76.6 Å²	76.6	2%	0.023	37%	0.368	C	S	.	.	H	α-helix	trans	-65.9	-34.2	179.4	-66	-60.9	162.7	0	0	112.1	Y214 L215 L218 Y222 W236 V237 S242 Q243 F244	Y214-E240 HydrophobicContact CE1-CB 4.13Å; Y214-E240 PolarHBondContact OH-OE2 3.44Å; Y214-E240 VanDerWaalsContact OH-OE2 3.06Å; L215-E240 HydrophobicContact CD2-CB 3.67Å; L218-E240 HydrophobicContact CD1-CB 3.81Å; L218-E240 HydrophobicContact CD1-CG 3.66Å; L218-E240 WeakPolarHBondContact CD1-OE2 3.47Å; Y222-E240 HydrophobicContact CE2-CG 4.29Å; Y222-E240 PolarHBondContact OH-OE1 3.14Å; W236-E240 HydrophobicContact CE3-CB 4.19Å; W236-E240 HydrophobicContact CE3-CG 3.56Å; W236-E240 HydrophobicContact CZ3-CB 4.27Å; W236-E240 HydrophobicContact CZ3-CG 3.96Å; W236-E240 VanDerWaalsContact O-CG 3.28Å; W236-E240 WeakPolarHBondContact O-CG 3.49Å; W236-E240 PolarHBondContact O-N 3.21Å; V237-E240 PolarHBondContact O-N 2.93Å; E240-S242 VanDerWaalsContact C-N 3.3Å; E240-S242 PolarHBondContact O-N 3.48Å; E240-Q243 WeakPolarHBondContact O-CB 3.38Å; E240-Q243 PolarHBondContact O-N 3.4Å; E240-F244 WeakPolarHBondContact O-CB 3.31Å; E240-F244 PolarHBondContact O-N 3.34Å
241	R	90.8	Very high	86.6	Confident	38 Å²	38	73.3 Å²	73.3	14%	0.143	35%	0.35	C	S	.	.	H	α-helix	trans	-60.7	-41.6	171.9	-162.4	-171.2	-60	-89.7	5.9	111.5	E211 E233 V237 E238 R239 R245	E211-R241 HydrophobicContact CG-CG 4.1Å; E211-R241 WeakPolarHBondContact OE1-CD 3.38Å; E211-R241 VanDerWaalsContact OE1-CG 3.3Å; E211-R241 WeakPolarHBondContact OE1-CG 3.49Å; E211-R241 IonicContact OE1-CZ 3.92Å; E211-R241 IonicContact OE1-NE 3.01Å; E211-R241 IonicContact OE1-NH1 3.94Å; E211-R241 PolarHBondContact OE1-NH1 3.12Å; E233-R241 IonicContact OE1-NH2 2.76Å; E233-R241 PolarHBondContact OE1-NH2 3.34Å; E233-R241 IonicContact OE2-NH2 2.88Å; E233-R241 PolarHBondContact OE2-NH2 2.91Å; V237-R241 VanDerWaalsContact O-CB 3.27Å; V237-R241 WeakPolarHBondContact O-CB 3.07Å; V237-R241 PolarHBondContact O-N 3.49Å; E238-R241 IonicContact OE2-NE 2.63Å; R239-R241 VanDerWaalsContact C-N 3.31Å; R239-R241 PolarHBondContact O-N 3.49Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.9Å
242	S	89	Confident	87.3	Confident	43 Å²	43	74.9 Å²	74.9	30%	0.301	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-41.8	174.4	-171.7	0	0	0	0	111.8	E238 R239 E240 R246	E238-S242 PolarHBondContact O-N 2.96Å; R239-S242 WeakPolarHBondContact O-CA 3.08Å; R239-S242 VanDerWaalsContact O-CB 3.29Å; R239-S242 WeakPolarHBondContact O-CB 3.49Å; R239-S242 PolarHBondContact O-N 2.76Å; R239-S242 VanDerWaalsContact O-N 3.1Å; E240-S242 VanDerWaalsContact C-N 3.3Å; E240-S242 PolarHBondContact O-N 3.48Å; S242-R246 VanDerWaalsContact O-CB 3.28Å; S242-R246 WeakPolarHBondContact O-CB 2.95Å; S242-R246 VanDerWaalsContact O-CG 3.27Å; S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.41Å; S242-R246 VanDerWaalsContact O-N 3.13Å
243	Q	85.3	Confident	88.1	Confident	39 Å²	39	72.9 Å²	72.9	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-46.1	174.8	-70.5	-67.4	-11.7	0	0	111.5	D38 R239 E240 R245 R246 F247 R248	D38-Q243 PolarHBondContact OD1-NE2 2.86Å; R239-Q243 WeakPolarHBondContact O-CG 3.35Å; R239-Q243 PolarHBondContact O-N 3.07Å; E240-Q243 WeakPolarHBondContact O-CB 3.38Å; E240-Q243 PolarHBondContact O-N 3.4Å; Q243-R245 PolarHBondContact O-N 2.86Å; Q243-R246 PolarHBondContact O-N 3.5Å; Q243-F247 PolarHBondContact O-N 3.05Å; Q243-R248 PolarHBondContact O-N 3.49Å
244	F	89.3	Confident	88.6	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.34	C	S	.	.	I	π-helix	trans	-53.3	-57.8	177.6	-176.4	-89	0	0	0	111.2	E211 Y214 E240 R246 R248 D249 M256	E211-F244 HydrophobicContact CB-CD1 4.01Å; E211-F244 HydrophobicContact CB-CE1 3.85Å; E211-F244 HydrophobicContact CB-CZ 4.2Å; E211-F244 HydrophobicContact CG-CD1 4.11Å; E211-F244 HydrophobicContact CG-CE1 4.46Å; E211-F244 HydrophobicContact CG-CG 4.41Å; Y214-F244 HydrophobicContact CD1-CB 3.97Å; Y214-F244 AromaticContact CD1-CD2 3.49Å; Y214-F244 HydrophobicContact CD1-CD2 3.49Å; Y214-F244 VanDerWaalsContact CD1-CD2 3.49Å; Y214-F244 HydrophobicContact CD1-CE2 4.36Å; Y214-F244 HydrophobicContact CD1-CG 4.1Å; Y214-F244 HydrophobicContact CD2-CD2 4.11Å; Y214-F244 HydrophobicContact CE1-CB 3.89Å; Y214-F244 HydrophobicContact CE1-CD2 4.04Å; Y214-F244 HydrophobicContact CE1-CG 4.45Å; Y214-F244 AromaticContact CG-CD2 3.52Å; Y214-F244 HydrophobicContact CG-CD2 3.52Å; Y214-F244 HydrophobicContact CG-CE2 4.02Å; E240-F244 WeakPolarHBondContact O-CB 3.31Å; E240-F244 PolarHBondContact O-N 3.34Å; F244-R246 VanDerWaalsContact C-N 3.26Å; F244-R246 PolarHBondContact O-N 3.27Å; F244-R248 HydrophobicContact CD2-CB 4.2Å; F244-R248 WeakPolarHBondContact O-CB 3.47Å; F244-R248 PolarHBondContact O-N 3.36Å; F244-D249 HydrophobicContact CD1-CB 4.22Å; F244-D249 HydrophobicContact CE1-CB 3.9Å; F244-D249 HydrophobicContact CZ-CB 4.43Å; F244-D249 PolarHBondContact O-N 2.84Å; F244-M256 HydrophobicContact CD2-CE 4.42Å; F244-M256 HydrophobicContact CD2-CG 4.49Å; F244-M256 HydrophobicContact CD2-SD 4.41Å; F244-M256 HydrophobicContact CE2-CE 3.79Å; F244-M256 HydrophobicContact CE2-CG 3.67Å; F244-M256 HydrophobicContact CE2-SD 3.98Å; F244-M256 HydrophobicContact CZ-CG 3.96Å
245	R	91.6	Very high	89.3	Confident	122 Å²	122	72.3 Å²	72.3	46%	0.46	34%	0.342	S	S	.	.	I	π-helix	trans	-67.1	-22.8	-175.7	-66.7	173.1	-178.1	172.7	1.4	114.7	E211 R241 Q243	E211-R245 IonicContact OE1-CZ 3.39Å; E211-R245 IonicContact OE1-NH2 3.8Å; E211-R245 PolarHBondContact OE1-NH2 2.96Å; E211-R245 IonicContact OE2-CZ 2.7Å; E211-R245 VanDerWaalsContact OE2-CZ 3.22Å; E211-R245 IonicContact OE2-NE 2.68Å; E211-R245 PolarHBondContact OE2-NE 3.27Å; E211-R245 IonicContact OE2-NH2 3.67Å; E211-R245 PolarHBondContact OE2-NH2 3.33Å; R241-R245 WeakPolarHBondContact O-CG 3.29Å; R241-R245 PolarHBondContact O-N 2.9Å; Q243-R245 PolarHBondContact O-N 2.86Å
246	R	87.4	Confident	90	Very high	176 Å²	176	63.6 Å²	63.6	66%	0.664	30%	0.301	S	S	*	.	I	π-helix	trans	-98.2	-35.9	-174.5	-74.6	179.3	166.3	-172.7	-0.8	113.2	S242 Q243 F244	S242-R246 VanDerWaalsContact O-CB 3.28Å; S242-R246 WeakPolarHBondContact O-CB 2.95Å; S242-R246 VanDerWaalsContact O-CG 3.27Å; S242-R246 WeakPolarHBondContact O-CG 3.33Å; S242-R246 PolarHBondContact O-N 3.41Å; S242-R246 VanDerWaalsContact O-N 3.13Å; Q243-R246 PolarHBondContact O-N 3.5Å; F244-R246 VanDerWaalsContact C-N 3.26Å; F244-R246 PolarHBondContact O-N 3.27Å
247	F	85.4	Confident	90.8	Very high	125 Å²	125	64.9 Å²	64.9	55%	0.548	31%	0.31	S	S	.	.	I	π-helix	trans	-132.2	-19	-166.7	-57.7	-72.9	0	0	0	114.3	Q243	Q243-F247 PolarHBondContact O-N 3.05Å
248	R	88.4	Confident	91.1	Very high	40 Å²	40	69 Å²	69	15%	0.151	33%	0.325	C	S	.	.	I	π-helix	trans	-95.9	-54	178.6	-57.9	-67	-178.4	-90.9	-3	111	Y214 Q243 F244 T250 M256 E260	Y214-R248 HydrophobicContact CE2-CG 4.46Å; Q243-R248 PolarHBondContact O-N 3.49Å; F244-R248 HydrophobicContact CD2-CB 4.2Å; F244-R248 WeakPolarHBondContact O-CB 3.47Å; F244-R248 PolarHBondContact O-N 3.36Å; R248-T250 PolarHBondContact O-N 3.48Å; R248-T250 VanDerWaalsContact O-N 3.08Å; R248-M256 HydrophobicContact CB-CG 4.23Å; R248-M256 HydrophobicContact CB-SD 3.62Å; R248-M256 HydrophobicContact CG-SD 4.39Å; R248-E260 WeakPolarHBondContact O-CB 3.36Å; R248-E260 WeakPolarHBondContact O-CG 3.36Å
249	D	92.7	Very high	91.4	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.037	33%	0.325	C	S	.	.			trans	-78.4	84.7	169.6	176.7	9.4	0	0	0	108.9	F244 N251 Q252 D253 G254	F244-D249 HydrophobicContact CD1-CB 4.22Å; F244-D249 HydrophobicContact CE1-CB 3.9Å; F244-D249 HydrophobicContact CZ-CB 4.43Å; F244-D249 PolarHBondContact O-N 2.84Å; D249-N251 PolarHBondContact OD1-OD1 3.28Å; D249-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D249-Q252 PolarHBondContact OD1-N 3.19Å; D249-Q252 WeakPolarHBondContact OD2-CA 3.49Å; D249-D253 PolarHBondContact OD1-N 3.46Å; D249-D253 VanDerWaalsContact OD1-N 3.1Å; D249-D253 PolarHBondContact OD2-N 2.92Å; D249-G254 WeakPolarHBondContact OD2-CA 3.28Å; D249-G254 PolarHBondContact OD2-N 2.69Å
250	T	91.2	Very high	91.9	Very high	105 Å²	105	64 Å²	64	64%	0.644	32%	0.316	S	S	*	.	S	Bend	trans	-75.2	-33.7	-174.5	-59	0	0	0	0	110.9	R248 E260	R248-T250 PolarHBondContact O-N 3.48Å; R248-T250 VanDerWaalsContact O-N 3.08Å; T250-E260 WeakPolarHBondContact CA-OE1 3.43Å; T250-E260 PolarHBondContact N-OE1 3.44Å
251	N	94.7	Very high	92.1	Very high	79 Å²	79	63.8 Å²	63.8	42%	0.422	32%	0.315	S	S	.	.	S	Bend	trans	-84	-11.1	179.2	74.1	34.3	0	0	0	113.3	D249 D253 D257 E260	D249-N251 PolarHBondContact OD1-OD1 3.28Å; N251-D253 WeakPolarHBondContact OD1-CB 3.49Å; N251-D253 PolarHBondContact OD1-N 2.95Å; N251-D253 PolarHBondContact OD1-OD1 3.4Å; N251-D257 PolarHBondContact ND2-OD2 2.97Å; N251-E260 PolarHBondContact N-OE1 3.13Å; N251-E260 PolarHBondContact ND2-OE1 2.87Å
252	Q	94.3	Very high	92.1	Very high	151 Å²	151	62 Å²	62	71%	0.706	31%	0.308	S	S	*	.			trans	63.2	34.5	178.4	-56.1	-173.1	-30.8	0	0	114.3	D249	D249-Q252 WeakPolarHBondContact OD1-CA 3.27Å; D249-Q252 PolarHBondContact OD1-N 3.19Å; D249-Q252 WeakPolarHBondContact OD2-CA 3.49Å
253	D	96.3	Very high	92	Very high	77 Å²	77	63.6 Å²	63.6	41%	0.412	31%	0.311	S	S	.	.	S	Bend	trans	-89.4	-3.3	177	86.6	-13.7	0	0	0	113.7	D249 N251 R255	D249-D253 PolarHBondContact OD1-N 3.46Å; D249-D253 VanDerWaalsContact OD1-N 3.1Å; D249-D253 PolarHBondContact OD2-N 2.92Å; N251-D253 WeakPolarHBondContact OD1-CB 3.49Å; N251-D253 PolarHBondContact OD1-N 2.95Å; N251-D253 PolarHBondContact OD1-OD1 3.4Å; D253-R255 WeakPolarHBondContact OD1-CG 3.25Å; D253-R255 PolarHBondContact OD1-N 2.9Å; D253-R255 VanDerWaalsContact OD1-N 3.13Å; D253-R255 IonicContact OD2-NE 2.56Å; D253-R255 PolarHBondContact OD2-NE 3.14Å
254	G	95.5	Very high	92	Very high	44 Å²	44	62.2 Å²	62.2	45%	0.454	30%	0.304	S	S	.	.	S	Bend	trans	94.7	4.3	175.5	0	0	0	0	0	114.9	D249	D249-G254 WeakPolarHBondContact OD2-CA 3.28Å; D249-G254 PolarHBondContact OD2-N 2.69Å
255	R	97.2	Very high	91.5	Very high	85 Å²	85	62.6 Å²	62.6	32%	0.321	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	162.5	179.7	55.9	-172.2	178.5	176.1	6.4	109.5	D206 Y208 V209 D253	D206-R255 IonicContact OD2-NH1 3.84Å; Y208-R255 HydrophobicContact CD1-CG 3.97Å; Y208-R255 HydrophobicContact CG-CG 4.22Å; V209-R255 CarbonylContact O-C 3.32Å; V209-R255 WeakPolarHBondContact O-CA 3.32Å; D253-R255 WeakPolarHBondContact OD1-CG 3.25Å; D253-R255 PolarHBondContact OD1-N 2.9Å; D253-R255 VanDerWaalsContact OD1-N 3.13Å; D253-R255 IonicContact OD2-NE 2.56Å; D253-R255 PolarHBondContact OD2-NE 3.14Å
256	M	96.4	Very high	91	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	172.8	-64.4	-179.4	-64.7	0	0	110.3	Y208 V209 Y214 F244 R248 E260 V261 W264	Y208-M256 CarbonylContact C-O 3.56Å; Y208-M256 VanDerWaalsContact CA-O 3.31Å; Y208-M256 WeakPolarHBondContact CA-O 3.17Å; V209-M256 HydrophobicContact CB-CB 4.25Å; V209-M256 HydrophobicContact CB-CE 3.6Å; V209-M256 HydrophobicContact CG1-CE 3.42Å; V209-M256 VanDerWaalsContact CG1-CE 3.42Å; V209-M256 HydrophobicContact CG2-CE 4.34Å; V209-M256 PolarHBondContact N-O 3.13Å; V209-M256 PolarHBondContact O-N 3.49Å; Y214-M256 HydrophobicContact CD2-CE 3.96Å; Y214-M256 HydrophobicContact CG-CE 4.48Å; F244-M256 HydrophobicContact CD2-CE 4.42Å; F244-M256 HydrophobicContact CD2-CG 4.49Å; F244-M256 HydrophobicContact CD2-SD 4.41Å; F244-M256 HydrophobicContact CE2-CE 3.79Å; F244-M256 HydrophobicContact CE2-CG 3.67Å; F244-M256 HydrophobicContact CE2-SD 3.98Å; F244-M256 HydrophobicContact CZ-CG 3.96Å; R248-M256 HydrophobicContact CB-CG 4.23Å; R248-M256 HydrophobicContact CB-SD 3.62Å; R248-M256 HydrophobicContact CG-SD 4.39Å; M256-E260 VanDerWaalsContact CA-OE2 3.31Å; M256-E260 WeakPolarHBondContact CA-OE2 3.39Å; M256-E260 HydrophobicContact CB-CB 3.93Å; M256-E260 HydrophobicContact CG-CB 4.18Å; M256-V261 HydrophobicContact CB-CG2 3.81Å; M256-V261 HydrophobicContact CE-CG2 4.45Å; M256-W264 HydrophobicContact CE-CD2 4.24Å; M256-W264 HydrophobicContact CE-CE3 3.42Å; M256-W264 VanDerWaalsContact CE-CE3 3.42Å; M256-W264 HydrophobicContact CE-CH2 4.43Å; M256-W264 HydrophobicContact CE-CZ3 3.55Å; M256-W264 HydrophobicContact SD-CD2 4.42Å; M256-W264 HydrophobicContact SD-CE3 4.02Å
257	D	96.4	Very high	90.7	Very high	47 Å²	47	51.1 Å²	51.1	25%	0.251	27%	0.268	S	S	.	.			trans	-78.9	176.4	165.6	72.5	33.2	0	0	0	112	Y208 N251 A259 E260 V261	Y208-D257 HydrophobicContact CD1-CB 4Å; Y208-D257 HydrophobicContact CE1-CB 3.9Å; N251-D257 PolarHBondContact ND2-OD2 2.97Å; D257-A259 PolarHBondContact O-N 2.9Å; D257-A259 WeakPolarHBondContact OD1-CA 3.44Å; D257-A259 WeakPolarHBondContact OD1-CB 3.41Å; D257-A259 PolarHBondContact OD1-N 3.08Å; D257-E260 PolarHBondContact N-OE2 3.34Å; D257-E260 PolarHBondContact O-N 2.82Å; D257-E260 PolarHBondContact OD1-N 3.32Å; D257-V261 WeakPolarHBondContact O-CB 3.3Å; D257-V261 VanDerWaalsContact O-CG2 3.3Å; D257-V261 WeakPolarHBondContact O-CG2 3.27Å; D257-V261 PolarHBondContact O-N 3.24Å
258	R	94.6	Very high	90.3	Very high	85 Å²	85	49 Å²	49	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-51.7	-40.2	177.7	-100.5	-168.5	82.4	91	-8.7	113.8	D191 I194 D195 L198 G262	D191-R258 VanDerWaalsContact CG-NH2 3.33Å; D191-R258 PolarHBondContact O-NH2 3.47Å; D191-R258 IonicContact OD1-CZ 2.67Å; D191-R258 IonicContact OD1-NH2 4Å; D191-R258 PolarHBondContact OD1-NH2 3.06Å; I194-R258 HydrophobicContact CG2-CB 4.48Å; I194-R258 HydrophobicContact CG2-CG 3.9Å; D195-R258 IonicContact OD1-CZ 2.66Å; D195-R258 IonicContact OD1-NH1 3.41Å; D195-R258 PolarHBondContact OD1-NH1 3.09Å; D195-R258 IonicContact OD1-NH2 3.63Å; L198-R258 HydrophobicContact CD1-CG 3.9Å; R258-G262 PolarHBondContact O-N 2.89Å
259	A	93.6	Very high	89.8	Confident	64 Å²	64	54.9 Å²	54.9	53%	0.529	30%	0.303	S	S	.	.	H	α-helix	trans	-70.8	-42.4	-175.2	0	0	0	0	0	110.2	D257 G262 E263	D257-A259 PolarHBondContact O-N 2.9Å; D257-A259 WeakPolarHBondContact OD1-CA 3.44Å; D257-A259 WeakPolarHBondContact OD1-CB 3.41Å; D257-A259 PolarHBondContact OD1-N 3.08Å; A259-G262 PolarHBondContact O-N 3.06Å; A259-E263 PolarHBondContact O-N 3.28Å
260	E	93.7	Very high	89.2	Confident	13 Å²	13	58 Å²	58	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-43.1	175.5	-70	166.7	149.4	0	0	111.8	R248 T250 N251 M256 D257 G262 E263 W264	R248-E260 WeakPolarHBondContact O-CB 3.36Å; R248-E260 WeakPolarHBondContact O-CG 3.36Å; T250-E260 WeakPolarHBondContact CA-OE1 3.43Å; T250-E260 PolarHBondContact N-OE1 3.44Å; N251-E260 PolarHBondContact N-OE1 3.13Å; N251-E260 PolarHBondContact ND2-OE1 2.87Å; M256-E260 VanDerWaalsContact CA-OE2 3.31Å; M256-E260 WeakPolarHBondContact CA-OE2 3.39Å; M256-E260 HydrophobicContact CB-CB 3.93Å; M256-E260 HydrophobicContact CG-CB 4.18Å; D257-E260 PolarHBondContact N-OE2 3.34Å; D257-E260 PolarHBondContact O-N 2.82Å; D257-E260 PolarHBondContact OD1-N 3.32Å; E260-G262 VanDerWaalsContact C-N 3.26Å; E260-G262 PolarHBondContact O-N 3.22Å; E260-E263 PolarHBondContact O-N 3.3Å; E260-W264 PolarHBondContact O-N 2.76Å
261	V	91	Very high	88.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-41.7	171.3	171	0	0	0	0	111	I194 L197 L198 V209 M256 D257 W264 I265	I194-V261 HydrophobicContact CG2-CG1 4.1Å; L197-V261 HydrophobicContact CD2-CG1 3.45Å; L197-V261 VanDerWaalsContact CD2-CG1 3.45Å; L197-V261 HydrophobicContact CG-CG1 4.4Å; L198-V261 HydrophobicContact CD2-CG2 4.26Å; V209-V261 HydrophobicContact CB-CG2 4.36Å; V209-V261 HydrophobicContact CG2-CG2 3.82Å; M256-V261 HydrophobicContact CB-CG2 3.81Å; M256-V261 HydrophobicContact CE-CG2 4.45Å; D257-V261 WeakPolarHBondContact O-CB 3.3Å; D257-V261 VanDerWaalsContact O-CG2 3.3Å; D257-V261 WeakPolarHBondContact O-CG2 3.27Å; D257-V261 PolarHBondContact O-N 3.24Å; V261-W264 WeakPolarHBondContact O-CB 3.26Å; V261-W264 PolarHBondContact O-N 2.72Å; V261-I265 WeakPolarHBondContact O-CG1 3.36Å; V261-I265 PolarHBondContact O-N 2.77Å; V261-I265 VanDerWaalsContact O-N 3.11Å
262	G	89.4	Confident	88.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-43.4	175.1	0	0	0	0	0	113.3	R190 R258 A259 E260 W264 M266	R190-G262 VanDerWaalsContact CZ-C 3.45Å; R190-G262 PolarHBondContact NH1-O 3.45Å; R190-G262 PolarHBondContact NH2-O 2.89Å; R258-G262 PolarHBondContact O-N 2.89Å; A259-G262 PolarHBondContact O-N 3.06Å; E260-G262 VanDerWaalsContact C-N 3.26Å; E260-G262 PolarHBondContact O-N 3.22Å; G262-W264 VanDerWaalsContact C-N 3.28Å; G262-M266 CarbonylContact O-C 3.58Å; G262-M266 WeakPolarHBondContact O-CA 3.42Å; G262-M266 PolarHBondContact O-N 3.43Å
263	E	88.2	Confident	87.8	Confident	77 Å²	77	49 Å²	49	36%	0.36	27%	0.27	S	S	.	.	H	α-helix	trans	-71.2	-25.6	176.8	-72	-55.5	120.9	0	0	112.4	R190 A259 E260 P267 S268	R190-E263 IonicContact CZ-OE1 2.96Å; R190-E263 IonicContact NH1-OE1 3.04Å; R190-E263 VanDerWaalsContact NH2-N 3.17Å; R190-E263 IonicContact NH2-OE1 3.77Å; R190-E263 PolarHBondContact NH2-OE1 3.33Å; A259-E263 PolarHBondContact O-N 3.28Å; E260-E263 PolarHBondContact O-N 3.3Å; E263-P267 WeakPolarHBondContact O-CA 3.41Å; E263-P267 WeakPolarHBondContact O-CB 3.33Å; E263-S268 PolarHBondContact OE1-OG 3.44Å; E263-S268 WeakPolarHBondContact OE2-CB 3.22Å; E263-S268 PolarHBondContact OE2-N 3.41Å; E263-S268 PolarHBondContact OE2-OG 3.36Å
264	W	84.3	Confident	87.4	Confident	10 Å²	10	47.1 Å²	47.1	4%	0.038	26%	0.26	C	S	.	.	H	α-helix	trans	-69	-45.4	173.7	176.1	26.5	0	0	0	112.1	L197 Y214 M256 E260 V261 G262	L197-W264 HydrophobicContact CD2-CE3 3.84Å; L197-W264 HydrophobicContact CD2-CZ3 3.74Å; Y214-W264 AromaticContact CD2-CH2 3.62Å; Y214-W264 HydrophobicContact CD2-CH2 3.62Å; Y214-W264 AromaticContact CD2-CZ2 3.58Å; Y214-W264 HydrophobicContact CD2-CZ2 3.58Å; Y214-W264 HydrophobicContact CD2-CZ3 4.12Å; Y214-W264 HydrophobicContact CE2-CD2 4.37Å; Y214-W264 AromaticContact CE2-CE2 3.69Å; Y214-W264 HydrophobicContact CE2-CH2 4.05Å; Y214-W264 AromaticContact CE2-CZ2 3.5Å; Y214-W264 HydrophobicContact CE2-CZ2 3.5Å; Y214-W264 VanDerWaalsContact CE2-CZ2 3.5Å; M256-W264 HydrophobicContact CE-CD2 4.24Å; M256-W264 HydrophobicContact CE-CE3 3.42Å; M256-W264 VanDerWaalsContact CE-CE3 3.42Å; M256-W264 HydrophobicContact CE-CH2 4.43Å; M256-W264 HydrophobicContact CE-CZ3 3.55Å; M256-W264 HydrophobicContact SD-CD2 4.42Å; M256-W264 HydrophobicContact SD-CE3 4.02Å; E260-W264 PolarHBondContact O-N 2.76Å; V261-W264 WeakPolarHBondContact O-CB 3.26Å; V261-W264 PolarHBondContact O-N 2.72Å; G262-W264 VanDerWaalsContact C-N 3.28Å
265	I	79.9	Confident	86.9	Confident	7 Å²	7	46 Å²	46	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-87.2	-34.3	-176.7	63.7	-168.2	0	0	0	113.9	S29 V193 I194 L197 V261 P267	S29-I265 PolarHBondContact OG-O 2.68Å; S29-I265 VanDerWaalsContact OG-O 3.05Å; V193-I265 HydrophobicContact CB-CD1 4.23Å; V193-I265 HydrophobicContact CG1-CD1 3.8Å; V193-I265 HydrophobicContact CG1-CG1 4.5Å; I194-I265 HydrophobicContact CB-CD1 4.34Å; I194-I265 HydrophobicContact CG1-CD1 3.64Å; L197-I265 HydrophobicContact CD2-CD1 4.5Å; L197-I265 HydrophobicContact CD2-CG2 3.31Å; L197-I265 HydrophobicContact CG-CG2 4.4Å; V261-I265 WeakPolarHBondContact O-CG1 3.36Å; V261-I265 PolarHBondContact O-N 2.77Å; V261-I265 VanDerWaalsContact O-N 3.11Å; I265-P267 VanDerWaalsContact C-CD 3.46Å
266	M	80.9	Confident	86.2	Confident	21 Å²	21	42.1 Å²	42.1	10%	0.103	23%	0.232	C	C	.	.	S	Bend	trans	-131.4	69.9	-178.5	-72.8	176.8	70.4	0	0	108.2	E184 R190 V193 G262 S268	E184-M266 WeakPolarHBondContact O-CE 3.31Å; R190-M266 HydrophobicContact CB-CE 4.21Å; R190-M266 HydrophobicContact CB-SD 4.03Å; R190-M266 HydrophobicContact CG-SD 4.05Å; R190-M266 PolarHBondContact NH1-O 3.14Å; V193-M266 HydrophobicContact CB-SD 4.5Å; V193-M266 HydrophobicContact CG2-SD 4.44Å; G262-M266 CarbonylContact O-C 3.58Å; G262-M266 WeakPolarHBondContact O-CA 3.42Å; G262-M266 PolarHBondContact O-N 3.43Å; M266-S268 PolarHBondContact O-N 3.01Å
267	P	80.5	Confident	85.9	Confident	37 Å²	37	42.1 Å²	42.1	24%	0.24	23%	0.232	C	C	.	.			trans	-59.7	124.4	-178.3	22.4	-33.7	0	0	0	111.3	E263 I265 N269 Y270	E263-P267 WeakPolarHBondContact O-CA 3.41Å; E263-P267 WeakPolarHBondContact O-CB 3.33Å; I265-P267 VanDerWaalsContact C-CD 3.46Å; P267-N269 VanDerWaalsContact C-N 3.28Å; P267-N269 PolarHBondContact O-N 3.09Å; P267-Y270 HydrophobicContact CB-CG 4.46Å; P267-Y270 HydrophobicContact CG-CD1 3.8Å; P267-Y270 HydrophobicContact CG-CG 3.99Å
268	S	78.1	Confident	85.6	Confident	80 Å²	80	45 Å²	45	56%	0.559	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.1	-174.2	-65.1	0	0	0	0	113.7	E263 M266	E263-S268 PolarHBondContact OE1-OG 3.44Å; E263-S268 WeakPolarHBondContact OE2-CB 3.22Å; E263-S268 PolarHBondContact OE2-N 3.41Å; E263-S268 PolarHBondContact OE2-OG 3.36Å; M266-S268 PolarHBondContact O-N 3.01Å
269	N	76.2	Confident	85.2	Confident	164 Å²	164	41.6 Å²	41.6	88%	0.877	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	24.9	-173.8	-65.4	-45.5	0	0	0	113	P267	P267-N269 VanDerWaalsContact C-N 3.28Å; P267-N269 PolarHBondContact O-N 3.09Å
270	Y	79.9	Confident	84.9	Confident	72 Å²	72	38.6 Å²	38.6	28%	0.282	21%	0.205	S	C	.	.			trans	-114.3	132.7	-179.8	177.7	-109.1	0	0	0	110.1	F36 P267 P272 A275	F36-Y270 WeakPolarHBondContact CD2-OH 3.5Å; F36-Y270 WeakPolarHBondContact CE2-OH 3.35Å; P267-Y270 HydrophobicContact CB-CG 4.46Å; P267-Y270 HydrophobicContact CG-CD1 3.8Å; P267-Y270 HydrophobicContact CG-CG 3.99Å; Y270-P272 HydrophobicContact CD1-CB 4.37Å; Y270-P272 HydrophobicContact CE1-CB 3.71Å; Y270-P272 HydrophobicContact CE1-CG 4.4Å; Y270-P272 WeakPolarHBondContact O-CD 3.37Å; Y270-A275 HydrophobicContact CE2-CB 3.92Å; Y270-A275 VanDerWaalsContact OH-CB 3.26Å; Y270-A275 WeakPolarHBondContact OH-CB 3.46Å
271	D	83.6	Confident	84.8	Confident	64 Å²	64	38.8 Å²	38.8	34%	0.342	21%	0.205	S	C	.	.			trans	-110.6	97.7	175.7	-177.1	-14	0	0	0	107.8	K94 I273 D274 A275	K94-D271 WeakPolarHBondContact CE-OD2 3.45Å; K94-D271 IonicContact NZ-OD2 2.98Å; K94-D271 PolarHBondContact NZ-OD2 3.32Å; D271-I273 PolarHBondContact O-N 3.04Å; D271-I273 WeakPolarHBondContact OD1-CB 3.38Å; D271-I273 PolarHBondContact OD1-N 3.24Å; D271-D274 HydrophobicContact CB-CB 3.68Å; D271-D274 VanDerWaalsContact CG-CB 3.45Å; D271-D274 WeakPolarHBondContact O-CB 3.44Å; D271-D274 PolarHBondContact O-N 3.2Å; D271-D274 PolarHBondContact OD1-N 2.77Å; D271-A275 PolarHBondContact O-N 3Å
272	P	80.6	Confident	84.6	Confident	49 Å²	49	44.2 Å²	44.2	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-60.7	-30	-179.5	21.7	-31.4	0	0	0	112	Y270 A275 E276	Y270-P272 HydrophobicContact CD1-CB 4.37Å; Y270-P272 HydrophobicContact CE1-CB 3.71Å; Y270-P272 HydrophobicContact CE1-CG 4.4Å; Y270-P272 WeakPolarHBondContact O-CD 3.37Å; P272-A275 PolarHBondContact O-N 3.17Å; P272-E276 WeakPolarHBondContact O-CB 3.28Å; P272-E276 PolarHBondContact O-N 3.25Å
273	I	87	Confident	84.4	Confident	32 Å²	32	46.1 Å²	46.1	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-72.6	-39.4	-179.9	-51.2	-65.6	0	0	0	110.5	K94 I97 E98 A101 D271 T277	K94-I273 HydrophobicContact CG-CG2 4.02Å; I97-I273 HydrophobicContact CB-CG2 3.83Å; I97-I273 HydrophobicContact CG2-CD1 3.9Å; I97-I273 HydrophobicContact CG2-CG2 3.69Å; E98-I273 HydrophobicContact CB-CG2 4.39Å; E98-I273 HydrophobicContact CG-CB 4.16Å; E98-I273 HydrophobicContact CG-CG1 4.21Å; E98-I273 HydrophobicContact CG-CG2 3.49Å; E98-I273 VanDerWaalsContact CG-CG2 3.49Å; A101-I273 HydrophobicContact CB-CD1 3.86Å; D271-I273 PolarHBondContact O-N 3.04Å; D271-I273 WeakPolarHBondContact OD1-CB 3.38Å; D271-I273 PolarHBondContact OD1-N 3.24Å; I273-T277 WeakPolarHBondContact O-CB 3.46Å; I273-T277 PolarHBondContact O-N 2.97Å; I273-T277 PolarHBondContact O-OG1 3.35Å
274	D	88.2	Confident	84.5	Confident	39 Å²	39	42.5 Å²	42.5	21%	0.209	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-42.8	173.6	-162.1	76.4	0	0	0	112.3	K94 D271 T277 K278	K94-D274 IonicContact NZ-OD1 3.39Å; K94-D274 PolarHBondContact NZ-OD1 3.25Å; D271-D274 HydrophobicContact CB-CB 3.68Å; D271-D274 VanDerWaalsContact CG-CB 3.45Å; D271-D274 WeakPolarHBondContact O-CB 3.44Å; D271-D274 PolarHBondContact O-N 3.2Å; D271-D274 PolarHBondContact OD1-N 2.77Å; D274-T277 PolarHBondContact O-N 3.2Å; D274-K278 WeakPolarHBondContact O-CG 3.37Å; D274-K278 PolarHBondContact O-N 3.47Å; D274-K278 VanDerWaalsContact OD2-CE 3.27Å; D274-K278 WeakPolarHBondContact OD2-CE 3.32Å; D274-K278 IonicContact OD2-NZ 2.64Å; D274-K278 PolarHBondContact OD2-NZ 2.94Å
275	A	84.3	Confident	84.9	Confident	19 Å²	19	42.5 Å²	42.5	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-48.1	176.6	0	0	0	0	0	111.3	F36 Y270 D271 P272 T277 K278 H279	F36-A275 HydrophobicContact CB-CB 4.44Å; F36-A275 HydrophobicContact CD1-CB 4.1Å; F36-A275 HydrophobicContact CD2-CB 3.77Å; F36-A275 HydrophobicContact CE1-CB 4.3Å; F36-A275 HydrophobicContact CE2-CB 3.92Å; F36-A275 HydrophobicContact CG-CB 3.81Å; F36-A275 HydrophobicContact CZ-CB 4.18Å; Y270-A275 HydrophobicContact CE2-CB 3.92Å; Y270-A275 VanDerWaalsContact OH-CB 3.26Å; Y270-A275 WeakPolarHBondContact OH-CB 3.46Å; D271-A275 PolarHBondContact O-N 3Å; P272-A275 PolarHBondContact O-N 3.17Å; A275-T277 PolarHBondContact O-N 3.39Å; A275-K278 PolarHBondContact O-N 3.18Å; A275-H279 WeakPolarHBondContact O-CB 3.27Å; A275-H279 PolarHBondContact O-N 3.26Å
276	E	84.2	Confident	85.4	Confident	4 Å²	4	46.5 Å²	46.5	2%	0.019	24%	0.244	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176	-179.1	60.9	-166.6	0	0	112	F36 D48 A51 I97 P272 K278 H279 L280	F36-E276 VanDerWaalsContact CE1-CA 3.42Å; F36-E276 HydrophobicContact CE1-CB 4.15Å; F36-E276 WeakPolarHBondContact CE1-OE2 3.49Å; F36-E276 HydrophobicContact CZ-CB 3.65Å; F36-E276 HydrophobicContact CZ-CG 4.44Å; F36-E276 WeakPolarHBondContact CZ-OE2 3.45Å; D48-E276 WeakPolarHBondContact CA-OE1 3.41Å; A51-E276 HydrophobicContact CB-CG 3.71Å; I97-E276 HydrophobicContact CD1-CG 4.1Å; I97-E276 HydrophobicContact CG2-CG 4.35Å; P272-E276 WeakPolarHBondContact O-CB 3.28Å; P272-E276 PolarHBondContact O-N 3.25Å; E276-K278 VanDerWaalsContact C-N 3.32Å; E276-K278 PolarHBondContact O-N 3.23Å; E276-H279 WeakPolarHBondContact O-CB 3.36Å; E276-H279 PolarHBondContact O-N 3.03Å; E276-L280 HydrophobicContact CG-CD1 4.11Å; E276-L280 HydrophobicContact CG-CG 4.4Å; E276-L280 WeakPolarHBondContact O-CG 3.17Å; E276-L280 PolarHBondContact O-N 2.91Å; E276-L280 WeakPolarHBondContact OE1-CG 3.15Å
277	T	89.5	Confident	86	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-48	178.6	-56.6	0	0	0	0	110.6	E90 L93 K94 I97 I273 D274 A275 H279 L280 F281	E90-T277 HydrophobicContact CG-CG2 3.65Å; E90-T277 WeakPolarHBondContact O-CG2 3.39Å; L93-T277 HydrophobicContact CB-CG2 4.14Å; L93-T277 HydrophobicContact CD2-CG2 4.16Å; L93-T277 HydrophobicContact CG-CG2 4.19Å; K94-T277 VanDerWaalsContact CA-OG1 3.32Å; K94-T277 WeakPolarHBondContact CA-OG1 3.5Å; K94-T277 HydrophobicContact CB-CG2 3.99Å; I97-T277 WeakPolarHBondContact CD1-OG1 3.48Å; I273-T277 WeakPolarHBondContact O-CB 3.46Å; I273-T277 PolarHBondContact O-N 2.97Å; I273-T277 PolarHBondContact O-OG1 3.35Å; D274-T277 PolarHBondContact O-N 3.2Å; A275-T277 PolarHBondContact O-N 3.39Å; T277-H279 VanDerWaalsContact C-N 3.33Å; T277-H279 PolarHBondContact O-N 3.3Å; T277-L280 PolarHBondContact O-N 2.83Å; T277-F281 HydrophobicContact CG2-CD2 4.18Å; T277-F281 HydrophobicContact CG2-CE2 4.39Å; T277-F281 WeakPolarHBondContact O-CD2 3.23Å; T277-F281 PolarHBondContact O-N 3.09Å
278	K	89.5	Confident	86.6	Confident	107 Å²	107	54 Å²	54	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-65.1	-38.2	179.4	-75.8	169.8	177.1	164.4	0	112.4	E90 D274 A275 E276 F281 Y282	E90-K278 WeakPolarHBondContact OE1-CE 3.4Å; D274-K278 WeakPolarHBondContact O-CG 3.37Å; D274-K278 PolarHBondContact O-N 3.47Å; D274-K278 VanDerWaalsContact OD2-CE 3.27Å; D274-K278 WeakPolarHBondContact OD2-CE 3.32Å; D274-K278 IonicContact OD2-NZ 2.64Å; D274-K278 PolarHBondContact OD2-NZ 2.94Å; A275-K278 PolarHBondContact O-N 3.18Å; E276-K278 VanDerWaalsContact C-N 3.32Å; E276-K278 PolarHBondContact O-N 3.23Å; K278-F281 PolarHBondContact O-N 2.95Å; K278-Y282 VanDerWaalsContact O-CB 3.31Å; K278-Y282 WeakPolarHBondContact O-CB 3.42Å; K278-Y282 PolarHBondContact O-N 2.9Å
279	H	85.7	Confident	87.4	Confident	15 Å²	15	53.7 Å²	53.7	7%	0.069	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-49.1	176	176.2	71.6	0	0	0	111.8	H35 F36 H43 D48 A275 E276 T277 F281 Y282 H283	H35-H279 AromaticContact CE1-CD2 3.7Å; H35-H279 AromaticContact CE1-CE1 3.92Å; H35-H279 AromaticContact CE1-NE2 3.47Å; H35-H279 PolarHBondContact CE1-NE2 3.25Å; F36-H279 HydrophobicContact CD1-CB 3.81Å; F36-H279 HydrophobicContact CE1-CB 3.58Å; F36-H279 AromaticContact CE1-CG 3.92Å; H43-H279 AromaticContact ND1-NE2 3.6Å; D48-H279 IonicContact OD1-CD2 3.08Å; D48-H279 IonicContact OD1-NE2 3.92Å; D48-H279 IonicContact OD2-CD2 3.94Å; D48-H279 PolarHBondContact OD2-CD2 2.93Å; D48-H279 IonicContact OD2-NE2 2.61Å; D48-H279 PolarHBondContact OD2-NE2 3.21Å; A275-H279 WeakPolarHBondContact O-CB 3.27Å; A275-H279 PolarHBondContact O-N 3.26Å; E276-H279 WeakPolarHBondContact O-CB 3.36Å; E276-H279 PolarHBondContact O-N 3.03Å; T277-H279 VanDerWaalsContact C-N 3.33Å; T277-H279 PolarHBondContact O-N 3.3Å; H279-F281 PolarHBondContact O-N 3.04Å; H279-Y282 WeakPolarHBondContact O-CB 3.48Å; H279-Y282 PolarHBondContact O-N 3.24Å; H279-Y282 VanDerWaalsContact O-N 3.11Å; H279-H283 AromaticContact CE1-CD2 3.26Å; H279-H283 PolarHBondContact CE1-CD2 3.13Å; H279-H283 AromaticContact CE1-NE2 3.06Å; H279-H283 PolarHBondContact CE1-NE2 2.94Å; H279-H283 AromaticContact ND1-CD2 3.65Å; H279-H283 AromaticContact ND1-NE2 3.6Å; H279-H283 AromaticContact NE2-CD2 3.55Å; H279-H283 AromaticContact NE2-NE2 3.75Å; H279-H283 PolarHBondContact O-CD2 3.03Å; H279-H283 PolarHBondContact O-N 3.47Å; H279-H283 VanDerWaalsContact O-N 3.14Å
280	L	89	Confident	88.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-42.9	175.8	-69.1	175.2	0	0	0	111.9	D48 F52 L93 I97 E276 T277 Y282 H283 A284 T303 F304	D48-L280 HydrophobicContact CB-CD2 4.16Å; F52-L280 HydrophobicContact CD2-CD1 4.34Å; L93-L280 HydrophobicContact CD2-CB 3.99Å; L93-L280 HydrophobicContact CD2-CD1 4.24Å; I97-L280 HydrophobicContact CD1-CD1 3.79Å; E276-L280 HydrophobicContact CG-CD1 4.11Å; E276-L280 HydrophobicContact CG-CG 4.4Å; E276-L280 WeakPolarHBondContact O-CG 3.17Å; E276-L280 PolarHBondContact O-N 2.91Å; E276-L280 WeakPolarHBondContact OE1-CG 3.15Å; T277-L280 PolarHBondContact O-N 2.83Å; L280-Y282 PolarHBondContact O-N 3.31Å; L280-H283 PolarHBondContact O-N 3.37Å; L280-A284 WeakPolarHBondContact O-CB 3.47Å; L280-A284 PolarHBondContact O-N 2.93Å; L280-T303 HydrophobicContact CD2-CG2 3.77Å; L280-F304 HydrophobicContact CB-CE1 4.21Å; L280-F304 HydrophobicContact CD1-CE1 4.25Å; L280-F304 HydrophobicContact CD2-CD1 4.2Å; L280-F304 HydrophobicContact CD2-CE1 4.06Å; L280-F304 HydrophobicContact CG-CE1 4.42Å
281	F	90.3	Very high	89	Confident	17 Å²	17	46.3 Å²	46.3	8%	0.075	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-43.4	173.2	-97.6	-95.5	0	0	0	112.1	T89 E90 L93 T277 K278 H279 H283 A284 D285 L292	T89-F281 VanDerWaalsContact C-CZ 3.46Å; E90-F281 VanDerWaalsContact CA-CE2 3.45Å; E90-F281 HydrophobicContact CB-CE2 4.13Å; E90-F281 HydrophobicContact CB-CZ 4.21Å; E90-F281 HydrophobicContact CG-CD2 4.46Å; E90-F281 HydrophobicContact CG-CE2 4.49Å; E90-F281 VanDerWaalsContact N-CZ 3.28Å; L93-F281 HydrophobicContact CB-CE2 3.81Å; L93-F281 HydrophobicContact CD2-CD2 3.6Å; L93-F281 HydrophobicContact CD2-CE2 3.48Å; L93-F281 VanDerWaalsContact CD2-CE2 3.48Å; L93-F281 HydrophobicContact CG-CE2 4.28Å; T277-F281 HydrophobicContact CG2-CD2 4.18Å; T277-F281 HydrophobicContact CG2-CE2 4.39Å; T277-F281 WeakPolarHBondContact O-CD2 3.23Å; T277-F281 PolarHBondContact O-N 3.09Å; K278-F281 PolarHBondContact O-N 2.95Å; H279-F281 PolarHBondContact O-N 3.04Å; F281-H283 PolarHBondContact O-N 3.41Å; F281-A284 PolarHBondContact O-N 2.81Å; F281-D285 HydrophobicContact CD1-CB 4.34Å; F281-D285 WeakPolarHBondContact O-CB 3.43Å; F281-D285 PolarHBondContact O-N 3.2Å; F281-L292 HydrophobicContact CD1-CD1 4.42Å; F281-L292 HydrophobicContact CD1-CD2 4.36Å; F281-L292 HydrophobicContact CD1-CG 4.04Å; F281-L292 HydrophobicContact CD2-CD1 4.1Å; F281-L292 HydrophobicContact CE1-CD1 4.22Å; F281-L292 HydrophobicContact CE1-CD2 4.4Å; F281-L292 HydrophobicContact CE1-CG 3.69Å; F281-L292 HydrophobicContact CE2-CD1 3.85Å; F281-L292 HydrophobicContact CE2-CG 4.21Å; F281-L292 HydrophobicContact CG-CD1 4.36Å; F281-L292 HydrophobicContact CG-CG 4.47Å; F281-L292 HydrophobicContact CZ-CD1 3.91Å; F281-L292 HydrophobicContact CZ-CG 3.76Å
282	Y	87.5	Confident	89.6	Confident	115 Å²	115	43.3 Å²	43.3	45%	0.451	23%	0.228	S	C	.	.	H	α-helix	trans	-58.2	-38	-179.8	178.6	-97.6	0	0	0	112.1	P40 K278 H279 L280 K288	P40-Y282 HydrophobicContact CB-CD1 3.93Å; P40-Y282 HydrophobicContact CB-CE1 3.43Å; P40-Y282 VanDerWaalsContact CB-CE1 3.43Å; P40-Y282 HydrophobicContact CB-CE2 4.45Å; P40-Y282 WeakPolarHBondContact O-CE1 3.42Å; K278-Y282 VanDerWaalsContact O-CB 3.31Å; K278-Y282 WeakPolarHBondContact O-CB 3.42Å; K278-Y282 PolarHBondContact O-N 2.9Å; H279-Y282 WeakPolarHBondContact O-CB 3.48Å; H279-Y282 PolarHBondContact O-N 3.24Å; H279-Y282 VanDerWaalsContact O-N 3.11Å; L280-Y282 PolarHBondContact O-N 3.31Å; Y282-K288 PolarHBondContact O-NZ 3.47Å
283	H	85.3	Confident	90.3	Very high	40 Å²	40	42.9 Å²	42.9	19%	0.185	22%	0.224	C	C	.	.	H	α-helix	trans	-85.6	-35.4	178.8	-73.5	-64.9	0	0	0	114.8	P40 H279 L280 F281 T303	P40-H283 PolarHBondContact O-CE1 2.93Å; P40-H283 PolarHBondContact O-NE2 3.03Å; H279-H283 AromaticContact CE1-CD2 3.26Å; H279-H283 PolarHBondContact CE1-CD2 3.13Å; H279-H283 AromaticContact CE1-NE2 3.06Å; H279-H283 PolarHBondContact CE1-NE2 2.94Å; H279-H283 AromaticContact ND1-CD2 3.65Å; H279-H283 AromaticContact ND1-NE2 3.6Å; H279-H283 AromaticContact NE2-CD2 3.55Å; H279-H283 AromaticContact NE2-NE2 3.75Å; H279-H283 PolarHBondContact O-CD2 3.03Å; H279-H283 PolarHBondContact O-N 3.47Å; H279-H283 VanDerWaalsContact O-N 3.14Å; L280-H283 PolarHBondContact O-N 3.37Å; F281-H283 PolarHBondContact O-N 3.41Å; H283-T303 HydrophobicContact CB-CG2 4.11Å
284	A	89.6	Confident	90.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-89.8	-39.9	-171.4	0	0	0	0	0	113.6	L280 F281 T286 L292 K300 F304	L280-A284 WeakPolarHBondContact O-CB 3.47Å; L280-A284 PolarHBondContact O-N 2.93Å; F281-A284 PolarHBondContact O-N 2.81Å; A284-T286 PolarHBondContact O-N 2.94Å; A284-T286 PolarHBondContact O-OG1 3.33Å; A284-T286 VanDerWaalsContact O-OG1 3.1Å; A284-L292 HydrophobicContact CB-CD1 4.13Å; A284-L292 HydrophobicContact CB-CD2 3.59Å; A284-K300 HydrophobicContact CB-CB 4.47Å; A284-F304 HydrophobicContact CB-CE2 3.59Å; A284-F304 HydrophobicContact CB-CZ 3.46Å; A284-F304 VanDerWaalsContact CB-CZ 3.46Å
285	D	92.4	Very high	90.9	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.059	25%	0.251	C	S	.	.			trans	-69.9	98.1	-179.7	178.7	-1.4	0	0	0	108.2	F281 N287 K288 D289 G290 L292	F281-D285 HydrophobicContact CD1-CB 4.34Å; F281-D285 WeakPolarHBondContact O-CB 3.43Å; F281-D285 PolarHBondContact O-N 3.2Å; D285-N287 PolarHBondContact OD1-N 3.45Å; D285-N287 PolarHBondContact OD1-OD1 3.29Å; D285-K288 VanDerWaalsContact O-CD 3.31Å; D285-K288 WeakPolarHBondContact O-CD 3.3Å; D285-K288 WeakPolarHBondContact O-CE 3.25Å; D285-K288 PolarHBondContact O-NZ 3.42Å; D285-K288 WeakPolarHBondContact OD1-CA 3.34Å; D285-K288 PolarHBondContact OD1-N 3.35Å; D285-K288 VanDerWaalsContact OD2-CA 3.31Å; D285-K288 WeakPolarHBondContact OD2-CA 3.32Å; D285-D289 PolarHBondContact OD1-N 2.79Å; D285-D289 PolarHBondContact OD2-N 3.21Å; D285-G290 WeakPolarHBondContact OD2-CA 3.3Å; D285-G290 PolarHBondContact OD2-N 3.07Å; D285-L292 VanDerWaalsContact CA-CD2 3.5Å; D285-L292 HydrophobicContact CB-CD2 3.7Å
286	T	91.4	Very high	91.4	Very high	90 Å²	90	46.3 Å²	46.3	55%	0.552	25%	0.247	S	C	*	.	S	Bend	trans	-86.4	-32.5	-170.5	-61.8	0	0	0	0	110.5	A284 E296	A284-T286 PolarHBondContact O-N 2.94Å; A284-T286 PolarHBondContact O-OG1 3.33Å; A284-T286 VanDerWaalsContact O-OG1 3.1Å; T286-E296 PolarHBondContact N-OE1 2.96Å
287	N	93.7	Very high	91.8	Very high	93 Å²	93	46.2 Å²	46.2	50%	0.497	25%	0.247	S	C	.	.	S	Bend	trans	-88.2	-9.3	180	74.8	11.9	0	0	0	113.1	D285 D289 E296	D285-N287 PolarHBondContact OD1-N 3.45Å; D285-N287 PolarHBondContact OD1-OD1 3.29Å; N287-D289 VanDerWaalsContact C-N 3.32Å; N287-D289 PolarHBondContact ND2-OD2 3.09Å; N287-D289 VanDerWaalsContact OD1-CB 3.23Å; N287-D289 WeakPolarHBondContact OD1-CB 3.41Å; N287-D289 PolarHBondContact OD1-N 2.82Å; N287-D289 PolarHBondContact OD1-OD1 3.23Å; N287-D289 PolarHBondContact OD1-OD2 3.45Å; N287-E296 PolarHBondContact N-OE1 3.04Å
288	K	92.3	Very high	91.9	Very high	124 Å²	124	47.3 Å²	47.3	54%	0.539	25%	0.253	S	S	.	.			trans	60.5	36.5	-179.5	-56.3	-59.8	179.9	-158.8	0	113.2	Y282 D285	Y282-K288 PolarHBondContact O-NZ 3.47Å; D285-K288 VanDerWaalsContact O-CD 3.31Å; D285-K288 WeakPolarHBondContact O-CD 3.3Å; D285-K288 WeakPolarHBondContact O-CE 3.25Å; D285-K288 PolarHBondContact O-NZ 3.42Å; D285-K288 WeakPolarHBondContact OD1-CA 3.34Å; D285-K288 PolarHBondContact OD1-N 3.35Å; D285-K288 VanDerWaalsContact OD2-CA 3.31Å; D285-K288 WeakPolarHBondContact OD2-CA 3.32Å
289	D	95.1	Very high	92	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	26%	0.261	S	S	.	.	S	Bend	trans	-89.7	-3.3	176.9	78.5	6.5	0	0	0	113.8	R87 D285 N287 L291	R87-D289 IonicContact NH1-OD2 2.74Å; D285-D289 PolarHBondContact OD1-N 2.79Å; D285-D289 PolarHBondContact OD2-N 3.21Å; N287-D289 VanDerWaalsContact C-N 3.32Å; N287-D289 PolarHBondContact ND2-OD2 3.09Å; N287-D289 VanDerWaalsContact OD1-CB 3.23Å; N287-D289 WeakPolarHBondContact OD1-CB 3.41Å; N287-D289 PolarHBondContact OD1-N 2.82Å; N287-D289 PolarHBondContact OD1-OD1 3.23Å; N287-D289 PolarHBondContact OD1-OD2 3.45Å; D289-L291 WeakPolarHBondContact OD1-CA 3.47Å; D289-L291 WeakPolarHBondContact OD1-CB 3.31Å; D289-L291 PolarHBondContact OD1-N 3.34Å
290	G	94	Very high	92.1	Very high	41 Å²	41	49.3 Å²	49.3	42%	0.423	28%	0.275	S	S	.	.	S	Bend	trans	81.2	14.5	179.4	0	0	0	0	0	113.7	D285	D285-G290 WeakPolarHBondContact OD2-CA 3.3Å; D285-G290 PolarHBondContact OD2-N 3.07Å
291	L	95.8	Very high	92	Very high	41 Å²	41	53.5 Å²	53.5	22%	0.215	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.7	177.2	-57	168.1	0	0	0	109.4	R87 T89 D289	R87-L291 HydrophobicContact CB-CB 4.47Å; R87-L291 HydrophobicContact CB-CD1 4.43Å; T89-L291 HydrophobicContact CG2-CD2 3.72Å; D289-L291 WeakPolarHBondContact OD1-CA 3.47Å; D289-L291 WeakPolarHBondContact OD1-CB 3.31Å; D289-L291 PolarHBondContact OD1-N 3.34Å
292	L	95.5	Very high	91.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	123.4	172.4	-64.5	178.4	0	0	0	110.2	I88 L93 F281 A284 D285 I297 F304	I88-L292 HydrophobicContact CB-CB 4.19Å; I88-L292 PolarHBondContact N-O 3.49Å; I88-L292 PolarHBondContact O-N 3.47Å; L93-L292 HydrophobicContact CD2-CD1 4.16Å; F281-L292 HydrophobicContact CD1-CD1 4.42Å; F281-L292 HydrophobicContact CD1-CD2 4.36Å; F281-L292 HydrophobicContact CD1-CG 4.04Å; F281-L292 HydrophobicContact CD2-CD1 4.1Å; F281-L292 HydrophobicContact CE1-CD1 4.22Å; F281-L292 HydrophobicContact CE1-CD2 4.4Å; F281-L292 HydrophobicContact CE1-CG 3.69Å; F281-L292 HydrophobicContact CE2-CD1 3.85Å; F281-L292 HydrophobicContact CE2-CG 4.21Å; F281-L292 HydrophobicContact CG-CD1 4.36Å; F281-L292 HydrophobicContact CG-CG 4.47Å; F281-L292 HydrophobicContact CZ-CD1 3.91Å; F281-L292 HydrophobicContact CZ-CG 3.76Å; A284-L292 HydrophobicContact CB-CD1 4.13Å; A284-L292 HydrophobicContact CB-CD2 3.59Å; D285-L292 VanDerWaalsContact CA-CD2 3.5Å; D285-L292 HydrophobicContact CB-CD2 3.7Å; L292-I297 HydrophobicContact CB-CD1 4.06Å; L292-I297 HydrophobicContact CB-CG1 4.11Å; L292-I297 HydrophobicContact CD1-CD1 4.49Å; L292-I297 HydrophobicContact CD1-CG1 4.39Å; L292-F304 HydrophobicContact CD1-CZ 4.33Å
293	T	95.2	Very high	91.4	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	158.7	170.6	60.3	0	0	0	0	111.4	A295 E296 I297	T293-A295 PolarHBondContact O-N 3Å; T293-E296 PolarHBondContact N-OE2 3.1Å; T293-E296 PolarHBondContact O-N 3.28Å; T293-E296 VanDerWaalsContact O-N 3.1Å; T293-E296 WeakPolarHBondContact OG1-CG 3.48Å; T293-E296 PolarHBondContact OG1-N 2.96Å; T293-E296 PolarHBondContact OG1-OE2 3.31Å; T293-I297 PolarHBondContact O-N 2.62Å; T293-I297 VanDerWaalsContact O-N 3.11Å
294	E	94.3	Very high	91.3	Very high	73 Å²	73	49.6 Å²	49.6	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-52	-43.1	172	-178.9	178.8	137.6	0	0	110.8	K74 I77 E296 I297 I298	K74-E294 WeakPolarHBondContact CD-OE1 3.47Å; K74-E294 WeakPolarHBondContact CE-OE1 3.33Å; K74-E294 HydrophobicContact CG-CG 4.47Å; K74-E294 WeakPolarHBondContact CG-OE1 3.49Å; I77-E294 HydrophobicContact CD1-CB 4.47Å; I77-E294 HydrophobicContact CD1-CG 3.96Å; I77-E294 HydrophobicContact CG2-CB 4.35Å; E294-E296 VanDerWaalsContact C-N 3.34Å; E294-E296 PolarHBondContact O-N 3.07Å; E294-I297 PolarHBondContact O-N 2.73Å; E294-I298 HydrophobicContact CG-CG1 4.15Å; E294-I298 WeakPolarHBondContact O-CB 3.2Å; E294-I298 VanDerWaalsContact O-CG1 3.29Å; E294-I298 WeakPolarHBondContact O-CG1 3.25Å; E294-I298 PolarHBondContact O-N 3.24Å
295	A	94.1	Very high	90.9	Very high	72 Å²	72	49.7 Å²	49.7	60%	0.595	28%	0.281	S	S	*	.	H	α-helix	trans	-60.3	-40	179.9	0	0	0	0	0	113.1	T293 A299	T293-A295 PolarHBondContact O-N 3Å; A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3.42Å
296	E	94.6	Very high	90	Very high	17 Å²	17	50.2 Å²	50.2	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-68.3	-45.6	177.4	-76.1	166.3	132.7	0	0	111.9	T286 N287 T293 E294 I298 A299 K300	T286-E296 PolarHBondContact N-OE1 2.96Å; N287-E296 PolarHBondContact N-OE1 3.04Å; T293-E296 PolarHBondContact N-OE2 3.1Å; T293-E296 PolarHBondContact O-N 3.28Å; T293-E296 VanDerWaalsContact O-N 3.1Å; T293-E296 WeakPolarHBondContact OG1-CG 3.48Å; T293-E296 PolarHBondContact OG1-N 2.96Å; T293-E296 PolarHBondContact OG1-OE2 3.31Å; E294-E296 VanDerWaalsContact C-N 3.34Å; E294-E296 PolarHBondContact O-N 3.07Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.22Å; E296-A299 PolarHBondContact O-N 3.32Å; E296-K300 WeakPolarHBondContact O-CB 3.46Å; E296-K300 PolarHBondContact O-N 2.87Å
297	I	92.5	Very high	88.6	Confident	2 Å²	2	46 Å²	46	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-42.4	178.1	-63.6	172.7	0	0	0	110.6	L73 I77 I88 L292 T293 E294 K300 R301 F304	L73-I297 HydrophobicContact CD1-CG2 4.16Å; L73-I297 HydrophobicContact CD2-CG2 4.08Å; L73-I297 HydrophobicContact CG-CG2 4.21Å; I77-I297 HydrophobicContact CD1-CB 3.89Å; I77-I297 HydrophobicContact CD1-CD1 4.19Å; I77-I297 HydrophobicContact CD1-CG2 3.66Å; I77-I297 HydrophobicContact CG1-CD1 3.99Å; I77-I297 HydrophobicContact CG1-CG2 4.06Å; I88-I297 HydrophobicContact CD1-CD1 3.56Å; L292-I297 HydrophobicContact CB-CD1 4.06Å; L292-I297 HydrophobicContact CB-CG1 4.11Å; L292-I297 HydrophobicContact CD1-CD1 4.49Å; L292-I297 HydrophobicContact CD1-CG1 4.39Å; T293-I297 PolarHBondContact O-N 2.62Å; T293-I297 VanDerWaalsContact O-N 3.11Å; E294-I297 PolarHBondContact O-N 2.73Å; I297-K300 CarbonylContact O-C 3.24Å; I297-K300 VanDerWaalsContact O-C 3.24Å; I297-K300 PolarHBondContact O-N 3.39Å; I297-R301 VanDerWaalsContact O-CA 3.29Å; I297-R301 WeakPolarHBondContact O-CA 3.43Å; I297-R301 PolarHBondContact O-N 3.04Å; I297-F304 HydrophobicContact CB-CE2 4.28Å; I297-F304 HydrophobicContact CG1-CE2 4.24Å; I297-F304 HydrophobicContact CG1-CZ 4.19Å; I297-F304 HydrophobicContact CG2-CD2 3.86Å; I297-F304 HydrophobicContact CG2-CE2 3.92Å; I297-F304 HydrophobicContact CG2-CG 4.26Å; I297-F304 HydrophobicContact CG2-CZ 4.36Å
298	I	91.6	Very high	86.7	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.118	25%	0.254	C	S	.	.	H	α-helix	trans	-67.4	-40.4	176.4	-65	-45	0	0	0	111.7	E70 L73 K74 I77 E294 E296 K300 R301	E70-I298 HydrophobicContact CG-CD1 3.86Å; E70-I298 HydrophobicContact CG-CG1 4.38Å; E70-I298 HydrophobicContact CG-CG2 4.05Å; L73-I298 HydrophobicContact CB-CD1 4.29Å; L73-I298 HydrophobicContact CD2-CD1 3.72Å; L73-I298 HydrophobicContact CG-CD1 3.94Å; K74-I298 HydrophobicContact CG-CD1 4.29Å; I77-I298 HydrophobicContact CD1-CD1 4.15Å; E294-I298 HydrophobicContact CG-CG1 4.15Å; E294-I298 WeakPolarHBondContact O-CB 3.2Å; E294-I298 VanDerWaalsContact O-CG1 3.29Å; E294-I298 WeakPolarHBondContact O-CG1 3.25Å; E294-I298 PolarHBondContact O-N 3.24Å; E296-I298 VanDerWaalsContact C-N 3.34Å; E296-I298 PolarHBondContact O-N 3.22Å; I298-K300 PolarHBondContact O-N 2.8Å; I298-R301 WeakPolarHBondContact O-CB 3.33Å; I298-R301 PolarHBondContact O-N 3.2Å
299	A	91.1	Very high	84.8	Confident	77 Å²	77	41.7 Å²	41.7	64%	0.636	25%	0.248	S	C	*	.	H	α-helix	trans	-64.7	-29.9	176.7	0	0	0	0	0	112.4	A295 E296	A295-A299 WeakPolarHBondContact O-CB 3.31Å; A295-A299 PolarHBondContact O-N 3.42Å; E296-A299 PolarHBondContact O-N 3.32Å
300	K	88.2	Confident	82.9	Confident	87 Å²	87	39.3 Å²	39.3	38%	0.378	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	25.9	178.8	-62.2	-67.8	-168.4	172	0	112.7	A284 E296 I297 I298 D302 T303 F304	A284-K300 HydrophobicContact CB-CB 4.47Å; E296-K300 WeakPolarHBondContact O-CB 3.46Å; E296-K300 PolarHBondContact O-N 2.87Å; I297-K300 CarbonylContact O-C 3.24Å; I297-K300 VanDerWaalsContact O-C 3.24Å; I297-K300 PolarHBondContact O-N 3.39Å; I298-K300 PolarHBondContact O-N 2.8Å; K300-D302 PolarHBondContact O-N 2.6Å; K300-T303 WeakPolarHBondContact O-CB 3.34Å; K300-T303 PolarHBondContact O-N 3.03Å; K300-F304 HydrophobicContact CB-CE2 4.43Å; K300-F304 WeakPolarHBondContact O-CD2 3.1Å
301	R	86.5	Confident	80.9	Confident	88 Å²	88	41 Å²	41	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-53.8	-32	-174.9	67.4	179.1	-178.7	-91.1	-10.2	113.6	L73 I297 I298 T303 F304 V305	L73-R301 HydrophobicContact CD2-CB 3.89Å; I297-R301 VanDerWaalsContact O-CA 3.29Å; I297-R301 WeakPolarHBondContact O-CA 3.43Å; I297-R301 PolarHBondContact O-N 3.04Å; I298-R301 WeakPolarHBondContact O-CB 3.33Å; I298-R301 PolarHBondContact O-N 3.2Å; R301-T303 PolarHBondContact O-N 2.87Å; R301-F304 PolarHBondContact O-N 2.88Å; R301-V305 HydrophobicContact CB-CG2 4.35Å; R301-V305 PolarHBondContact O-N 2.86Å
302	D	83.5	Confident	78.5	Confident	75 Å²	75	46.6 Å²	46.6	40%	0.401	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-20.3	-178.7	-60	-11.1	0	0	0	112.2	H49 K300 T310	H49-D302 PolarHBondContact NE2-O 3.36Å; K300-D302 PolarHBondContact O-N 2.6Å; D302-T310 HydrophobicContact CB-CG2 4.41Å; D302-T310 WeakPolarHBondContact OD1-CG2 3.38Å
303	T	81.7	Confident	76.1	Confident	16 Å²	16	48.1 Å²	48.1	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-76.7	-30.3	171.4	-60.1	0	0	0	0	112.1	D48 H49 L280 H283 K300 R301	D48-T303 WeakPolarHBondContact CB-O 3.18Å; H49-T303 PolarHBondContact CD2-O 3.1Å; H49-T303 VanDerWaalsContact CD2-O 3.32Å; L280-T303 HydrophobicContact CD2-CG2 3.77Å; H283-T303 HydrophobicContact CB-CG2 4.11Å; K300-T303 WeakPolarHBondContact O-CB 3.34Å; K300-T303 PolarHBondContact O-N 3.03Å; R301-T303 PolarHBondContact O-N 2.87Å
304	F	83.8	Confident	73.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-100	-34.2	-173.1	-65	-83.2	0	0	0	113.7	H49 F52 L280 A284 L292 I297 K300 R301	H49-F304 PolarHBondContact CD2-O 3.38Å; F52-F304 HydrophobicContact CD1-CB 3.94Å; F52-F304 HydrophobicContact CD1-CD1 4.13Å; F52-F304 AromaticContact CD2-CD1 3.69Å; F52-F304 HydrophobicContact CD2-CD1 3.69Å; F52-F304 HydrophobicContact CD2-CE1 4.26Å; F52-F304 HydrophobicContact CE1-CB 4.11Å; F52-F304 HydrophobicContact CE1-CD1 4.21Å; F52-F304 AromaticContact CE2-CD1 3.76Å; F52-F304 HydrophobicContact CE2-CD1 3.76Å; F52-F304 HydrophobicContact CE2-CE1 4.17Å; F52-F304 HydrophobicContact CG-CB 4.39Å; F52-F304 AromaticContact CG-CD1 3.88Å; F52-F304 HydrophobicContact CG-CD1 3.88Å; F52-F304 HydrophobicContact CZ-CD1 4.02Å; L280-F304 HydrophobicContact CB-CE1 4.21Å; L280-F304 HydrophobicContact CD1-CE1 4.25Å; L280-F304 HydrophobicContact CD2-CD1 4.2Å; L280-F304 HydrophobicContact CD2-CE1 4.06Å; L280-F304 HydrophobicContact CG-CE1 4.42Å; A284-F304 HydrophobicContact CB-CE2 3.59Å; A284-F304 HydrophobicContact CB-CZ 3.46Å; A284-F304 VanDerWaalsContact CB-CZ 3.46Å; L292-F304 HydrophobicContact CD1-CZ 4.33Å; I297-F304 HydrophobicContact CB-CE2 4.28Å; I297-F304 HydrophobicContact CG1-CE2 4.24Å; I297-F304 HydrophobicContact CG1-CZ 4.19Å; I297-F304 HydrophobicContact CG2-CD2 3.86Å; I297-F304 HydrophobicContact CG2-CE2 3.92Å; I297-F304 HydrophobicContact CG2-CG 4.26Å; I297-F304 HydrophobicContact CG2-CZ 4.36Å; K300-F304 HydrophobicContact CB-CE2 4.43Å; K300-F304 WeakPolarHBondContact O-CD2 3.1Å; R301-F304 PolarHBondContact O-N 2.88Å
305	V	82	Confident	71.3	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	28%	0.277	C	S	.	.			trans	-142.8	141.1	-171.7	-48.6	0	0	0	0	112.1	H49 L53 F61 S69 L73 R301	H49-V305 PolarHBondContact CD2-N 2.93Å; H49-V305 VanDerWaalsContact CD2-N 3.28Å; H49-V305 PolarHBondContact CE1-O 3.08Å; H49-V305 VanDerWaalsContact NE2-C 3.35Å; H49-V305 PolarHBondContact NE2-N 2.77Å; H49-V305 PolarHBondContact NE2-O 3.46Å; L53-V305 HydrophobicContact CD1-CB 4.16Å; L53-V305 HydrophobicContact CD1-CG1 3.87Å; L53-V305 HydrophobicContact CD2-CG1 4.05Å; L53-V305 HydrophobicContact CG-CG1 4.29Å; F61-V305 HydrophobicContact CD1-CB 3.71Å; F61-V305 HydrophobicContact CD1-CG1 3.81Å; F61-V305 HydrophobicContact CD1-CG2 4.18Å; F61-V305 HydrophobicContact CE1-CB 4.09Å; F61-V305 HydrophobicContact CE1-CG1 3.7Å; F61-V305 HydrophobicContact CE1-CG2 4.42Å; F61-V305 HydrophobicContact CZ-CG1 4.42Å; S69-V305 WeakPolarHBondContact OG-CG2 3.4Å; L73-V305 HydrophobicContact CD1-CG1 3.93Å; L73-V305 HydrophobicContact CD2-CG1 4.3Å; L73-V305 HydrophobicContact CD2-CG2 4.26Å; R301-V305 HydrophobicContact CB-CG2 4.35Å; R301-V305 PolarHBondContact O-N 2.86Å
306	S	73.3	Confident	68.5	Low	22 Å²	22	50.2 Å²	50.2	15%	0.154	28%	0.278	C	S	.	.			trans	-90	134.6	169.5	-174.8	0	0	0	0	109.2	H49 F61 S62 N311	H49-S306 VanDerWaalsContact CE1-CA 3.44Å; H49-S306 WeakPolarHBondContact CE1-CA 3.33Å; H49-S306 PolarHBondContact CE1-N 2.96Å; H49-S306 WeakPolarHBondContact ND1-CA 3.31Å; H49-S306 WeakPolarHBondContact ND1-CB 3.32Å; H49-S306 PolarHBondContact ND1-N 2.67Å; F61-S306 CarbonylContact C-O 3.49Å; F61-S306 VanDerWaalsContact C-O 3.28Å; S62-S306 PolarHBondContact N-O 2.93Å; S306-N311 PolarHBondContact OG-OD1 2.81Å
307	S	61.4	Low	66	Low	3 Å²	3	56.4 Å²	56.4	2%	0.021	30%	0.304	C	S	.	.			trans	-123.7	160.7	175.2	68.7	0	0	0	0	110.9	A309 T310 N311	S307-A309 PolarHBondContact O-N 2.93Å; S307-A309 VanDerWaalsContact O-N 3.12Å; S307-T310 PolarHBondContact N-OG1 2.7Å; S307-T310 PolarHBondContact O-N 3.2Å; S307-T310 VanDerWaalsContact O-N 3.09Å; S307-T310 PolarHBondContact O-OG1 2.68Å; S307-T310 PolarHBondContact OG-OG1 3.01Å; S307-N311 PolarHBondContact O-N 3.5Å; S307-N311 VanDerWaalsContact O-N 3.12Å
308	Q	53.9	Low	63.5	Low	77 Å²	77	63.8 Å²	63.8	36%	0.36	34%	0.339	S	S	.	.	H	α-helix	trans	-53.6	-37.5	176.5	-71.8	-167.2	19.6	0	0	112.4	S62 Q63 L64 T310 N311 Y312	S62-Q308 WeakPolarHBondContact O-CG 3.43Å; Q63-Q308 PolarHBondContact O-NE2 3.45Å; L64-Q308 PolarHBondContact O-N 2.98Å; Q308-T310 PolarHBondContact O-N 2.8Å; Q308-N311 PolarHBondContact O-N 3.1Å; Q308-Y312 HydrophobicContact CB-CE2 4.47Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.44Å; Q308-Y312 PolarHBondContact O-N 2.77Å
309	A	52.1	Low	60.9	Low	49 Å²	49	69.3 Å²	69.3	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-66.5	-37.2	-179.7	0	0	0	0	0	113.2	P66 S307 N311 Y312 G313	P66-A309 HydrophobicContact CG-CB 3.48Å; P66-A309 VanDerWaalsContact CG-CB 3.48Å; S307-A309 PolarHBondContact O-N 2.93Å; S307-A309 VanDerWaalsContact O-N 3.12Å; A309-N311 VanDerWaalsContact C-N 3.35Å; A309-Y312 PolarHBondContact O-N 2.69Å; A309-G313 PolarHBondContact O-N 2.84Å
310	T	56.2	Low	58.5	Low	22 Å²	22	73.7 Å²	73.7	14%	0.135	37%	0.371	C	S	.	.	H	α-helix	trans	-69	-36.6	175.3	48.6	0	0	0	0	110.9	D302 S307 Q308 Y312 G313 N314	D302-T310 HydrophobicContact CB-CG2 4.41Å; D302-T310 WeakPolarHBondContact OD1-CG2 3.38Å; S307-T310 PolarHBondContact N-OG1 2.7Å; S307-T310 PolarHBondContact O-N 3.2Å; S307-T310 VanDerWaalsContact O-N 3.09Å; S307-T310 PolarHBondContact O-OG1 2.68Å; S307-T310 PolarHBondContact OG-OG1 3.01Å; Q308-T310 PolarHBondContact O-N 2.8Å; T310-Y312 PolarHBondContact O-N 3.07Å; T310-G313 PolarHBondContact O-N 3.14Å; T310-N314 WeakPolarHBondContact O-CB 3.16Å; T310-N314 PolarHBondContact O-N 2.92Å
311	N	50.8	Low	56.3	Low	75 Å²	75	78.2 Å²	78.2	40%	0.401	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-41.6	173.7	-72.6	-20.4	0	0	0	112.2	S306 S307 Q308 A309 N314 A315	S306-N311 PolarHBondContact OG-OD1 2.81Å; S307-N311 PolarHBondContact O-N 3.5Å; S307-N311 VanDerWaalsContact O-N 3.12Å; Q308-N311 PolarHBondContact O-N 3.1Å; A309-N311 VanDerWaalsContact C-N 3.35Å; N311-N314 PolarHBondContact O-N 3.1Å; N311-A315 VanDerWaalsContact O-CB 3.28Å; N311-A315 WeakPolarHBondContact O-CB 3.17Å; N311-A315 PolarHBondContact O-N 2.81Å
312	Y	46.4	Very low	53.8	Low	160 Å²	160	83.9 Å²	83.9	63%	0.627	43%	0.429	S	S	*	.	H	α-helix	trans	-64.9	-40	173.2	-77.3	-69.5	0	0	0	112.5	Q308 A309 T310 L316	Q308-Y312 HydrophobicContact CB-CE2 4.47Å; Q308-Y312 WeakPolarHBondContact O-CD2 3.44Å; Q308-Y312 PolarHBondContact O-N 2.77Å; A309-Y312 PolarHBondContact O-N 2.69Å; T310-Y312 PolarHBondContact O-N 3.07Å; Y312-L316 VanDerWaalsContact O-CG 3.32Å; Y312-L316 WeakPolarHBondContact O-CG 3.32Å; Y312-L316 PolarHBondContact O-N 3.27Å
313	G	46	Very low	52.3	Low	32 Å²	32	84.3 Å²	84.3	33%	0.33	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-41.4	175.8	0	0	0	0	0	113.2	A309 T310 L316 K317	A309-G313 PolarHBondContact O-N 2.84Å; T310-G313 PolarHBondContact O-N 3.14Å; G313-L316 PolarHBondContact O-N 2.9Å; G313-K317 PolarHBondContact O-N 3.16Å; G313-K317 VanDerWaalsContact O-N 3.12Å
314	N	47.4	Very low	50.7	Low	70 Å²	70	87.9 Å²	87.9	37%	0.374	45%	0.448	S	S	.	.	H	α-helix	trans	-71.5	-38.3	177.5	-73.6	-15.3	0	0	0	112	T310 N311 L316 K317 Q318	T310-N314 WeakPolarHBondContact O-CB 3.16Å; T310-N314 PolarHBondContact O-N 2.92Å; N311-N314 PolarHBondContact O-N 3.1Å; N314-L316 VanDerWaalsContact C-N 3.29Å; N314-L316 PolarHBondContact O-N 3.44Å; N314-K317 PolarHBondContact O-N 2.75Å; N314-Q318 PolarHBondContact O-N 2.85Å
315	A	40.4	Very low	48.9	Very low	44 Å²	44	92.8 Å²	92.8	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-61.8	-37.6	172.7	0	0	0	0	0	111.8	N311 Q318 H319	N311-A315 VanDerWaalsContact O-CB 3.28Å; N311-A315 WeakPolarHBondContact O-CB 3.17Å; N311-A315 PolarHBondContact O-N 2.81Å; A315-Q318 PolarHBondContact O-N 3.39Å; A315-H319 PolarHBondContact O-CD2 3.46Å; A315-H319 VanDerWaalsContact O-CD2 3.27Å; A315-H319 PolarHBondContact O-N 3.29Å
316	L	35.5	Very low	47	Very low	115 Å²	115	98.2 Å²	98.2	60%	0.602	50%	0.5	S	S	*	.	H	α-helix	trans	-67	-40.9	175.5	-76.4	165.1	0	0	0	112.2	Y312 G313 N314 Q318 H319 E320	Y312-L316 VanDerWaalsContact O-CG 3.32Å; Y312-L316 WeakPolarHBondContact O-CG 3.32Å; Y312-L316 PolarHBondContact O-N 3.27Å; G313-L316 PolarHBondContact O-N 2.9Å; N314-L316 VanDerWaalsContact C-N 3.29Å; N314-L316 PolarHBondContact O-N 3.44Å; L316-Q318 PolarHBondContact O-N 3.22Å; L316-H319 PolarHBondContact O-N 3.27Å; L316-H319 VanDerWaalsContact O-N 3.15Å; L316-E320 PolarHBondContact O-N 3.13Å
317	K	41.2	Very low	45.3	Very low	147 Å²	147	102.9 Å²	102.9	64%	0.639	52%	0.522	S	S	*	.	H	α-helix	trans	-63.2	-38.7	175.6	-74.1	-177.1	177.9	179.6	0	112.8	G313 N314 H319 E320	G313-K317 PolarHBondContact O-N 3.16Å; G313-K317 VanDerWaalsContact O-N 3.12Å; N314-K317 PolarHBondContact O-N 2.75Å; K317-H319 PolarHBondContact O-N 2.72Å; K317-E320 PolarHBondContact O-N 3.39Å
318	Q	40.1	Very low	44.2	Very low	156 Å²	156	109.6 Å²	109.6	73%	0.729	56%	0.556	S	S	*	*	H	α-helix	trans	-67.9	-24.1	175.3	-73.6	-174.7	-4.7	0	0	113.2	N314 A315 L316	N314-Q318 PolarHBondContact O-N 2.85Å; A315-Q318 PolarHBondContact O-N 3.39Å; L316-Q318 PolarHBondContact O-N 3.22Å
319	H	38.1	Very low	43.6	Very low	140 Å²	140	111.9 Å²	111.9	65%	0.648	57%	0.57	S	S	*	*	H	α-helix	trans	-87.6	-16.6	179.5	-89.4	-65.3	0	0	0	114.6	A315 L316 K317	A315-H319 PolarHBondContact O-CD2 3.46Å; A315-H319 VanDerWaalsContact O-CD2 3.27Å; A315-H319 PolarHBondContact O-N 3.29Å; L316-H319 PolarHBondContact O-N 3.27Å; L316-H319 VanDerWaalsContact O-N 3.15Å; K317-H319 PolarHBondContact O-N 2.72Å
320	E	41	Very low	42.9	Very low	168 Å²	168	116.8 Å²	116.8	79%	0.785	58%	0.582	S	S	*	*	H	α-helix	trans	-87.5	-9.9	176.7	-75.1	-171	164.6	0	0	114	L316 K317	L316-E320 PolarHBondContact O-N 3.13Å; K317-E320 PolarHBondContact O-N 3.39Å
321	E	40.4	Very low	41.8	Very low	183 Å²	183	124.7 Å²	124.7	86%	0.855	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	16.8	176.2	-67.9	-166.1	166.3	0	0	114.7
322	L	34.2	Very low	41	Very low	206 Å²	206	129.2 Å²	129.2	100%	1.079	64%	0.639	S	S	*	*			trans	-107.4	0	165.4	-70.8	173.7	0	0	0	110.6

Retrieved 322 of 322 residues in 257.2 ms (Link to these results)

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